%nproc=4
%chk=sr_Ts_nobenzoicacid_b97d2.chk
%mem=13000MB
#p b97d/6-31g(d)  opt(calcfc,ts,noeigen)

Title Card Required

0 1
 C                 -4.45046700   -1.91556900    1.24529700
 C                 -5.31909900   -1.05403600    0.28448600
 C                 -4.46735800   -0.35827900   -0.74018700
 C                 -3.78404400   -1.20400900   -1.66234200
 C                 -2.49813000   -3.42948800    1.59617700
 C                 -4.34600500    1.71387200    0.63244500
 C                 -3.81033500    3.10768900    0.27186400
 C                 -4.11823800    3.20158800   -1.23323500
 C                 -3.70216600    1.79952900   -1.74579300
 H                 -1.70177900   -4.04816300    1.16740500
 H                 -3.89589900   -1.25368600    1.92449500
 H                 -5.12577000   -2.54860400    1.83777900
 H                 -5.98775500   -1.73969500   -0.25436900
 H                 -5.93023100   -0.34762300    0.86204700
 H                 -3.16315300   -0.72862700   -2.42562300
 H                 -4.35468600   -2.06185200   -2.02211400
 H                 -4.26737000    1.49507600   -2.63682800
 H                 -5.19742500    3.34996300   -1.39937000
 H                 -3.56282700    3.98785500   -1.75718500
 H                 -4.29110700    3.89634800    0.86593400
 H                 -2.72679800    3.15688100    0.44043800
 H                 -5.42200300    1.75003000    0.86739700
 H                 -3.80771100    1.22339900    1.45375500
 C                 -3.42500500   -2.80254400    0.51444300
 C                 -4.08121700   -3.92865200   -0.29529600
 C                 -2.52409000   -1.90399400   -0.42810200
 C                 -3.12010900   -4.77227200   -1.13520800
 C                 -1.59165600   -2.72205500   -1.34898800
 C                 -2.27625100   -3.88455400   -2.09058800
 H                 -2.43355700   -5.30370000   -0.45603600
 H                 -1.11268300   -2.02665500   -2.05599800
 H                 -1.51649600   -4.51122000   -2.58301300
 O                 -1.96455100   -0.90792700    0.21159800
 O                 -5.29449300   -4.12341200   -0.30806300
 H                 -3.70491300   -5.51811700   -1.69132900
 H                 -2.92731800   -3.49356700   -2.88920400
 H                 -0.79440600   -3.11337200   -0.69271400
 H                 -2.01812900   -2.61554100    2.15534400
 C                 -2.21032100    1.84648400   -2.18384600
 O                 -1.93624800    2.59450800   -3.12664700
 N                 -1.32448500    1.09817900   -1.47806800
 C                 -0.66987000    5.22194200    0.46457000
 C                 -0.15798600    3.97829500    0.12620000
 C                 -0.13186000    2.91553400    1.07887300
 C                 -0.63942100    3.16598000    2.40745100
 C                 -1.14970400    4.45850000    2.72296100
 C                 -1.16935200    5.46736000    1.77246000
 H                 -0.69009700    6.01870600   -0.28148700
 H                  0.20993500    3.79277200   -0.88254800
 C                  0.34693300    1.60267400    0.74897600
 C                 -0.63591300    2.10714300    3.36284500
 H                 -1.53053200    4.63630600    3.73177000
 H                 -1.56744400    6.45200400    2.02595200
 C                 -0.21072200    0.83921000    3.01636800
 C                  0.26662300    0.58276700    1.69779300
 H                 -1.01024300    2.30662100    4.36980300
 H                 -0.24456800    0.01599300    3.72741200
 C                  5.13388800    1.60045900   -1.29067100
 C                  4.27523700    1.36217100   -2.35123500
 C                  2.86855900    1.26554700   -2.14618500
 C                  2.33889100    1.40636400   -0.81008300
 C                  3.25253500    1.63875400    0.26077200
 C                  4.61459100    1.73652100    0.02474900
 H                  2.37437100    0.94065200   -4.23720300
 H                  6.20957800    1.66720400   -1.46082900
 H                  4.66533400    1.24471500   -3.36479600
 C                  1.96796500    1.04873400   -3.22897400
 C                  0.91951600    1.34508200   -0.60871600
 H                  2.86249000    1.74020700    1.27333400
 H                  5.29723000    1.91218400    0.85804100
 C                  0.07911700    1.14636600   -1.70344900
 C                  0.60382900    0.99066800   -3.01788800
 H                 -0.09020700    0.85085400   -3.84441700
 N                  0.48155800   -0.74890800    1.22508400
 C                  3.00544300   -1.72802300    1.18078700
 C                  3.05826100   -1.74239700   -0.22271600
 C                  4.16161200   -1.59956100    1.96171500
 C                  4.29187700   -1.62041900   -0.86082500
 H                  2.14036400   -1.81535200   -0.80369000
 C                  5.40077600   -1.46015100    1.32494800
 H                  4.08203800   -1.59219500    3.04799200
 C                  5.44414500   -1.46814100   -0.07519300
 H                  4.37069100   -1.60272000   -1.94392800
 H                  6.32018500   -1.33390800    1.89262500
 H                 -1.65186300    0.44266200   -0.72889200
 H                 -0.37986100   -1.10768200    0.73474500
 S                  1.39225000   -1.92531000    1.98261600
 O                  1.58753800   -1.65045400    3.42236700
 O                  0.82620900   -3.21058600    1.51428200
 N                 -4.13323300    0.92548100   -0.61228200
 H                 -3.09375500   -4.04318900    2.29044700
 C                  6.80507978   -1.30392725   -0.77696958
 H                  7.30106839   -0.43627796   -0.39476543
 H                  7.40758754   -2.16895546   -0.59363764
 H                  6.65216755   -1.19245181   -1.83010351


--Link1--
%nproc=4
%chk=sr_Ts_nobenzoicacid_b97d2.chk
%mem=13000MB
#p b97d/6-31g(d) freq=noraman guess=read geom=check

Title Card Required

0 1



