%chk=000211856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211856

0 1
S 6.548080 -1.326957 0.509471
S 6.850008 0.597042 -0.151764
O -2.747446 -0.713913 -0.317220
O 5.837245 0.528319 -1.489105
O 6.262517 1.517889 0.758527
O 8.167483 0.727847 -0.676571
N 2.484734 -1.418094 0.650084
C 0.057001 -1.734908 0.328248
C -1.038181 -2.292643 -0.586740
C -3.070624 1.918817 -0.997307
C 1.441027 -1.858514 -0.327884
C -2.431198 -2.103017 0.009687
C -4.138183 1.166753 -0.229713
C -3.950523 -0.197499 0.116257
C 3.848337 -1.394728 0.033398
C -3.608277 2.375006 -2.360118
C -2.550689 3.106458 -0.176615
C -5.330593 1.773546 0.162099
C -4.914200 -0.921405 0.824998
C 4.853677 -1.257735 1.174942
C -6.309234 1.062460 0.873932
C -6.098816 -0.274992 1.201427
H 0.057491 -2.267476 1.300982
H -0.168227 -0.674465 0.564629
H -0.866681 -3.368010 -0.787826
H -1.002323 -1.782364 -1.574303
H -2.207303 1.222821 -1.182035
H 1.466086 -1.285561 -1.280361
H 1.646330 -2.921636 -0.586058
H -3.184333 -2.750826 -0.470576
H -2.457794 -2.225713 1.105188
H 2.253685 -0.481750 1.004404
H 3.978746 -0.578393 -0.716889
H 4.013435 -2.351203 -0.514077
H -2.822270 2.850851 -2.955194
H -3.993087 1.524198 -2.934112
H -4.425498 3.096326 -2.257610
H -3.327708 3.858699 -0.006058
H -1.718644 3.603610 -0.685566
H -2.192869 2.777775 0.805830
H -5.506677 2.820039 -0.088229
H -4.766306 -1.962450 1.086611
H 4.696587 -0.331730 1.766712
H 4.755022 -2.101323 1.894240
H -7.229426 1.560471 1.167315
H -6.856637 -0.828833 1.753982
H 6.175157 0.895211 -2.323036


%chk=000211856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211856

0 1
S 6.481916 -1.179166 0.840163
S 6.962007 0.939220 -0.363271
O -2.825358 -0.799420 -0.249528
O 7.042881 0.207003 -2.074749
O 5.619165 1.850148 -0.269201
O 8.393480 1.630883 -0.067245
N 2.368178 -1.238647 0.448864
C -0.069223 -1.722487 0.346802
C -1.177472 -2.563768 -0.322562
C -3.110310 1.839054 -1.117733
C 1.333935 -2.083074 -0.176105
C -2.584898 -2.194973 0.155095
C -4.249558 1.127504 -0.382073
C -4.071154 -0.217245 0.067094
C 3.769094 -1.508028 0.103535
C -3.578810 3.015989 -2.002790
C -2.031934 2.317925 -0.102587
C -5.484406 1.749719 -0.089342
C -5.087996 -0.900981 0.774610
C 4.676355 -0.782730 1.114471
C -6.510753 1.082119 0.621727
C -6.309066 -0.244532 1.052667
H -0.092407 -1.864916 1.444881
H -0.275192 -0.651185 0.154677
H -1.016394 -3.640317 -0.110061
H -1.133827 -2.439953 -1.422169
H -2.626731 1.086976 -1.771604
H 1.344493 -1.998646 -1.291296
H 1.568026 -3.140524 0.061749
H -3.346532 -2.853362 -0.311183
H -2.666197 -2.281939 1.259306
H 2.128665 -0.238659 0.460837
H 4.051722 -1.196007 -0.928867
H 3.934998 -2.600716 0.165828
H -2.727353 3.408017 -2.588744
H -4.368320 2.705133 -2.711246
H -3.970797 3.854018 -1.396132
H -2.454180 3.073354 0.586104
H -1.176345 2.776632 -0.633505
H -1.657425 1.472308 0.500261
H -5.654503 2.777346 -0.426983
H -4.943798 -1.931759 1.111072
H 4.570119 0.318399 1.013317
H 4.432548 -1.054553 2.158234
H -7.455663 1.594601 0.831409
H -7.094517 -0.775414 1.602126
H 7.552437 0.854651 -2.647853


