%nprocshared=24
%mem=100GB
%chk=a1_ts2RS_2.chk
#p opt freq wb97xd/6-311g(d,p) scrf=(smd,solvent=acetonitrile)
temperature=353.15

A1 ts2 RS

0 1
 C                 -0.57880734    2.69595257    2.02642738
 H                  0.37566214    2.98328788    2.41553980
 H                 -1.03288539    1.98909179    2.68854277
 C                 -1.47084309    3.92455157    1.89041168
 H                 -2.42948757    3.63642754    1.51226010
 H                 -1.59638065    4.40002368    2.84054271
 C                 -0.79214732    4.87356118    0.90859490
 H                 -1.40174599    5.74082061    0.76350798
 H                  0.16063494    5.17066143    1.29414949
 N                 -0.40687448    2.09747910    0.69445690
 H                 -1.07884603    1.01132402    0.69106896
 C                 -0.61929330    4.95900074   -1.61139306
 H                 -1.24228316    5.82040723   -1.48847194
 H                  0.37668625    5.27199003   -1.84513070
 C                 -1.16392933    4.08838571   -2.74196106
 H                 -1.16433483    4.63524082   -3.66173753
 H                 -2.16361446    3.78341873   -2.51316276
 C                 -0.26459192    2.86087884   -2.85993000
 H                 -0.63412465    2.21549711   -3.62929311
 H                  0.73223923    3.16634057   -3.10102525
 C                 -0.42748090    2.81245521   -0.40291900
 N                 -0.60730617    4.16955147   -0.36963093
 N                 -0.26221966    2.15311349   -1.57141245
 H                 -0.13543134    1.16185869   -1.55884193
 C                  0.55679573   -1.21183907   -2.02581088
 O                 -0.82467180    0.23868182    0.18178619
 O                  1.33587258   -0.76284297   -2.90633390
 O                 -0.72488115   -1.22983064   -2.22982718
 C                 -1.58454979   -1.63207087   -1.16177766
 C                 -2.91364181   -0.81903898    0.80973561
 H                 -3.20056110    0.04286405    1.37496377
 H                 -2.39211385   -1.50465989    1.44458867
 C                 -2.84233862   -2.31063087   -1.73289230
 H                 -2.55720456   -3.17093190   -2.30236758
 H                 -3.36385974   -1.62234907   -2.36462472
 C                 -4.17154035   -1.50215060    0.24210841
 H                 -4.69472811   -0.81755942   -0.39201924
 O                  1.02616477   -1.66217977   -0.90002922
 C                  2.95375813   -2.62572620    0.24995399
 O                  2.41617065   -2.46190103    1.56475772
 H                  2.77685988   -3.13744767    2.14375241
 C                  2.59630432   -4.03064078   -0.26802636
 H                  1.53278943   -4.14632561   -0.28085906
 H                  2.98061942   -4.15448198   -1.25944270
 H                  3.02754123   -4.76833259    0.37638286
 C                 -0.83747741   -2.62316069   -0.24973544
 H                 -0.55021805   -3.48381129   -0.81692764
 H                  0.03606477   -2.15062626    0.14909952
 H                 -1.47917316   -2.92270631    0.55279863
 C                  2.41028537   -1.52231949   -0.58462778
 H                  2.98032261   -1.50641065   -1.49059670
 C                 -1.99439481   -0.39151198   -0.34723214
 H                 -2.51413736    0.29540742   -0.98102930
 C                 -3.76016490   -2.74252623   -0.57347990
 H                 -4.63431656   -3.21667600   -0.96790868
 H                 -3.23715465   -3.42936535    0.05949746
 C                 -6.61182601   -1.99682657    1.19814788
 H                 -6.88304491   -2.97543099    0.85979329
 H                 -7.10667864   -1.78947955    2.12364815
 H                 -6.90459290   -1.27181041    0.46729892
 C                  3.91179536   -0.26143328    1.08312272
 H                  3.80584439   -0.84155104    1.97570355
 C                  2.58752226   -0.21436700    0.25346213
 H                  1.79716901   -0.08422273    0.96366761
 H                  2.58010998    0.59285089   -0.44867766
 C                  4.91260399   -0.95437860    0.22833484
 H                  4.84751026   -0.51967311   -0.74752268
 H                  5.91777033   -0.86673629    0.58379354
 C                  4.50987823   -2.46645897    0.22884338
 H                  4.94566281   -2.89144693   -0.65082510
 H                  4.87171532   -2.97790137    1.09631983
 C                  5.10098917    1.43738395    2.75618920
 H                  5.71977829    0.59095158    2.96938298
 H                  5.71376825    2.30458891    2.62932705
 H                  4.42118192    1.59688715    3.56868698
 C                  4.30389171    1.17676853    1.46481035
 C                  3.94673282    2.21062867    0.66549732
 H                  4.21872257    3.21092223    0.93077311
 H                  3.39186737    2.02674165   -0.23074714
 C                 -5.08750949   -1.92983974    1.40443718
 C                 -4.55158339   -2.24805203    2.60898369
 H                 -5.18800447   -2.54512981    3.41611161
 H                 -3.49207434   -2.20062030    2.75302544



