%chk=000280421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280421

0 1
S 1.559476 -1.473132 -1.774264
O 2.209474 -1.396530 -3.071586
O 0.989251 -2.730470 -1.356767
N -0.448092 -0.134855 -0.809590
N 0.291987 -0.289712 -1.952222
C -2.251252 0.615386 0.582371
C -2.589024 2.106281 0.795644
C -2.677697 2.533468 -1.702531
C -3.406572 2.704129 -0.355095
C -2.368395 1.040646 -1.952105
C -3.496889 -0.306092 0.714896
C -1.604725 0.463579 -0.788195
C -3.511222 3.108429 -2.851219
C -4.056714 -0.247357 2.142806
C -3.149655 -1.752887 0.348286
C 2.589114 -0.839809 -0.556823
C 2.219957 -0.913970 0.791190
C 3.807785 -0.249242 -0.914820
C 3.066246 -0.408438 1.779013
C 4.657641 0.257027 0.066908
C 4.292062 0.179200 1.423254
C 5.193834 0.732477 2.475423
H -1.516461 0.310224 1.372022
H -1.643868 2.672013 0.914881
H -3.139183 2.229438 1.748788
H -1.706224 3.086022 -1.653997
H -4.402991 2.224348 -0.399365
H -3.595381 3.776528 -0.163167
H -1.821214 0.929119 -2.907137
H -3.312519 0.471678 -2.082892
H -4.284654 0.060906 0.011569
H -3.717791 4.173683 -2.698200
H -2.991256 3.014078 -3.810936
H -4.476978 2.600992 -2.951539
H -4.317374 0.776695 2.432768
H -4.963383 -0.855392 2.234329
H -3.336956 -0.627409 2.875883
H -2.299747 -2.129316 0.930682
H -2.871473 -1.852512 -0.707094
H -3.993716 -2.426134 0.528546
H -0.113788 -0.074008 -2.874998
H 1.263287 -1.368671 1.074305
H 4.096714 -0.189226 -1.971647
H 2.773632 -0.470086 2.825027
H 5.603791 0.712768 -0.217463
H 5.093900 0.206424 3.435107
H 4.964066 1.792997 2.664492
H 6.254177 0.679814 2.191261


%chk=000280421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280421

0 1
S 1.527912 -1.659493 -1.499404
O 2.157331 -1.808904 -2.994845
O 0.837878 -2.915818 -0.727262
N -0.546004 -0.080022 -0.626658
N 0.278620 -0.175115 -1.738064
C -2.524482 0.589435 0.606651
C -2.862160 2.092306 0.854172
C -2.700398 2.634005 -1.648013
C -3.554437 2.753887 -0.361029
C -2.348975 1.136491 -1.919993
C -3.784385 -0.349812 0.588281
C -1.731335 0.492490 -0.688914
C -3.400848 3.262544 -2.870068
C -4.513501 -0.331532 1.954245
C -3.388712 -1.800928 0.221561
C 2.790342 -0.884951 -0.352614
C 2.666344 -1.119031 1.025064
C 3.824844 -0.127016 -0.923527
C 3.641392 -0.550683 1.874584
C 4.786188 0.427684 -0.051827
C 4.705429 0.231672 1.353422
C 5.730418 0.860932 2.279289
H -1.863844 0.227290 1.418619
H -1.915221 2.630594 1.061695
H -3.488787 2.199362 1.758335
H -1.744211 3.170830 -1.471449
H -4.546562 2.289657 -0.538681
H -3.743358 3.823971 -0.146013
H -1.681388 1.078514 -2.800452
H -3.286347 0.602667 -2.182032
H -4.494135 0.019831 -0.181297
H -3.626975 4.330184 -2.691738
H -2.770116 3.197637 -3.776392
H -4.356609 2.746335 -3.084576
H -4.910987 0.666599 2.211000
H -5.365837 -1.035828 1.944653
H -3.827865 -0.645315 2.765030
H -2.631255 -2.192610 0.926083
H -2.953093 -1.872932 -0.790842
H -4.271058 -2.466191 0.260635
H -0.163163 -0.395727 -2.661501
H 1.849326 -1.736639 1.410104
H 3.884019 0.002502 -2.008833
H 3.574127 -0.718611 2.955538
H 5.611008 1.017345 -0.468238
H 5.818878 0.302870 3.227175
H 5.444076 1.899944 2.533421
H 6.729116 0.902681 1.810506


