%chk=000214697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214697

0 1
O 2.330403 0.602561 0.289190
O 0.265448 0.285453 1.947097
O -2.638967 1.532760 -1.662182
O 1.852558 1.062441 -2.322641
O 2.191460 -1.673288 -0.023574
N 1.018888 0.731084 -0.165530
N -0.417879 1.291264 -1.974702
C -1.444462 0.568507 0.227323
C -2.273739 1.431589 1.213495
C -1.989852 -0.853969 0.110662
C -0.020101 0.507198 0.801264
C -1.592135 1.175821 -1.176573
C -1.744355 2.864275 1.354990
C -3.378146 -1.048000 0.026662
C -1.132007 -1.961140 0.047377
C -2.620651 3.676930 2.304266
C 0.915711 1.017554 -1.565541
C -3.902149 -2.336603 -0.092320
C -1.663176 -3.249373 -0.070946
C -3.045761 -3.441588 -0.136811
C 2.843877 -0.726018 0.314071
C 4.239447 -0.581344 0.835838
C 5.245333 -1.209347 -0.140718
C 6.664908 -1.134338 0.408703
H -3.331078 1.457402 0.870379
H -2.282975 0.927821 2.204051
H -0.701821 2.856167 1.734043
H -1.711384 3.362691 0.365277
H -0.538457 1.601974 -2.954307
H -4.052396 -0.188678 0.037420
H -0.042278 -1.852111 0.086315
H -2.238773 4.699366 2.413674
H -2.653634 3.233983 3.307040
H -3.652905 3.752847 1.942178
H -4.980483 -2.478797 -0.154571
H -0.988656 -4.105086 -0.113699
H -3.454774 -4.446840 -0.226961
H 4.298835 -1.072177 1.833577
H 4.490816 0.489614 1.015846
H 4.967473 -2.266323 -0.337186
H 5.190001 -0.691291 -1.120980
H 6.766990 -1.674734 1.357290
H 7.380797 -1.577875 -0.295302
H 6.982648 -0.099184 0.582818


%chk=000214697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214697

0 1
O 2.372069 0.838032 -0.155536
O 0.467170 0.487821 1.756153
O -2.838094 1.793325 -1.496169
O 1.575300 1.094623 -2.748912
O 2.281169 -1.522568 -0.080725
N 0.973180 0.808410 -0.487068
N -0.660593 1.324632 -2.103963
C -1.434973 0.663135 0.193356
C -2.227404 1.397979 1.322510
C -1.943071 -0.810972 0.040557
C 0.057770 0.653924 0.585486
C -1.715326 1.332485 -1.170808
C -1.836462 2.878482 1.528697
C -3.316529 -1.026102 -0.248072
C -1.080779 -1.927375 0.173265
C -2.673878 3.528395 2.651320
C 0.698569 1.062204 -1.860504
C -3.822537 -2.336390 -0.375553
C -1.594692 -3.238304 0.044980
C -2.964152 -3.450192 -0.224915
C 2.940389 -0.487975 0.060557
C 4.379555 -0.306161 0.478663
C 5.254361 -1.538302 0.149903
C 6.689839 -1.370537 0.688362
H -3.301218 1.337585 1.073577
H -2.063323 0.832080 2.257208
H -0.762762 2.952988 1.788820
H -1.990943 3.440586 0.586857
H -0.884814 1.610810 -3.063028
H -3.985460 -0.171822 -0.397417
H -0.012884 -1.799961 0.372715
H -2.392027 4.586683 2.798248
H -2.524340 3.001936 3.612376
H -3.753090 3.496317 2.411165
H -4.884805 -2.485821 -0.598125
H -0.916035 -4.091381 0.153170
H -3.357093 -4.468093 -0.323868
H 4.376930 -0.123867 1.573126
H 4.778110 0.612535 0.012484
H 4.785510 -2.441477 0.581576
H 5.276244 -1.688288 -0.945966
H 6.693750 -1.256212 1.788632
H 7.307899 -2.251418 0.439378
H 7.182068 -0.480550 0.253787


