%nprocshared=24
%mem=41GB
#p b3lyp opt=(calcfc,maxstep=6) freq=noraman 6-31G(d) scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Opt calcfc freq

0 1
 C                 -1.06631964    0.03033564   -0.39799970
 C                 -0.25220782    1.33971524   -0.28604889
 C                 -0.13833391    2.03230254    0.92335608
 C                  0.64872904    3.17895127    1.04673122
 C                  1.37733852    3.67912952   -0.04552536
 C                  1.28653896    2.96640212   -1.25836238
 C                  0.49685075    1.82999141   -1.36940466
 H                  0.49896098    1.30448480   -2.31880640
 H                  1.86834031    3.28579839   -2.11704148
 H                  0.67121631    3.68507942    2.00465747
 H                 -0.67857534    1.68378541    1.79653573
 C                 -2.16018765   -0.01223090    0.69480087
 C                 -2.26719396   -1.05569908    1.62051332
 C                 -3.29166510   -1.07201677    2.56783458
 C                 -4.24755052   -0.05124639    2.62765178
 C                 -4.13359657    0.99948251    1.70810423
 C                 -3.10686287    1.02248265    0.76655309
 H                 -3.04096079    1.85968128    0.07869046
 H                 -4.85343328    1.81440302    1.73146255
 H                 -3.34946793   -1.89995725    3.27103327
 H                 -1.55228961   -1.86942503    1.60089922
 C                 -1.84613328    0.07040064   -1.81480474
 H                 -2.02375166    1.12393831   -2.04246718
 C                 -1.08559630   -0.47792388   -2.94009357
 N                 -0.50410347   -0.88404774   -3.85912120
 C                 -3.23227658   -0.60168326   -1.78765922
 O                 -3.44693592   -1.78330826   -1.63209093
 O                 -4.18570193    0.32180477   -1.96539317
 C                 -5.54348786   -0.15202680   -1.82801954
 H                 -5.73985520   -0.95838270   -2.53790830
 H                 -6.17293834    0.71208394   -2.03688591
 H                 -5.70237901   -0.50963839   -0.80736336
 C                 -0.11359027   -1.17990409   -0.30288708
 C                  1.14872223   -1.06342757    0.29948489
 C                  1.99720494   -2.15562829    0.43937313
 C                  1.62318483   -3.43640055   -0.01055942
 C                  0.35431781   -3.55893443   -0.60475114
 C                 -0.48615139   -2.45592080   -0.74610689
 H                 -1.46340654   -2.61058290   -1.18794365
 H                 -0.00257406   -4.52138896   -0.95212144
 H                  2.97834885   -2.00044209    0.87670786
 H                  1.49280999   -0.09945945    0.65561918
 N                  2.20994379    4.81381262    0.04199004
 C                  2.01556893    5.85676314   -0.97751482
 C                  2.42250519    5.40343570    1.36327372
 C                  3.18838444    6.83198088   -0.95804042
 H                  1.07988915    6.41084564   -0.78598788
 H                  1.94100505    5.40599568   -1.96890652
 C                  3.58173398    6.39723926    1.30333737
 H                  1.51776748    5.92114008    1.72950017
 H                  2.67505705    4.61264013    2.07649444
 H                  3.00736160    7.65719402   -1.65312210
 H                  4.10941325    6.30728366   -1.26102279
 O                  3.35497885    7.41169146    0.33147684
 H                  3.69415492    6.90396838    2.26627859
 H                  4.51503428    5.85646270    1.07605874
 N                  2.51853587   -4.51890515    0.10716259
 C                  3.12916632   -4.74127630    1.42619804
 C                  2.15110583   -5.78509090   -0.52483314
 C                  4.31292532   -5.69536826    1.30076503
 H                  2.38931131   -5.17103922    2.12432527
 H                  3.47573062   -3.79550029    1.84659583
 C                  3.36847344   -6.70654489   -0.58067603
 H                  1.33467752   -6.29149060    0.02075249
 H                  1.81045166   -5.59387923   -1.54696646
 H                  4.71619739   -5.93223445    2.28991718
 H                  5.10523332   -5.22210384    0.69754371
 O                  3.92007207   -6.93025907    0.71233193
 H                  3.08214686   -7.68630431   -0.97415598
 H                  4.12951241   -6.26592102   -1.24533152
 C                 -5.35013095   -0.08218206    3.65960058
 H                 -5.88741196   -1.03786602    3.63782590
 H                 -4.94662740    0.03578081    4.67331640
 H                 -6.07768216    0.71895682    3.49525331

solventname=PMMA
eps=3.9
epsinf=2.222





