%chk=000267501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267501

0 1
S 0.413468 -1.690804 -1.187238
S 1.681238 3.209424 -0.071592
O 2.671967 0.281305 -0.395392
O 3.444494 -1.929431 -0.255652
O 0.836643 1.983655 -0.908260
O 1.774713 2.763851 1.298192
O 0.974998 4.412646 -0.398816
N -1.749588 -0.119541 -1.133529
N -3.981384 -0.178521 -1.700970
N -1.973702 -0.777556 1.287345
N -4.304006 -1.168980 1.936286
N -6.117171 -0.955602 0.433483
C 1.532731 0.041148 0.455930
C 1.158389 -1.442236 0.458555
C 0.371199 0.840520 -0.199025
C -0.304926 -0.007113 -1.304129
C 2.369108 -2.348909 0.600393
C 3.832936 -0.553321 -0.166483
C 4.477434 -0.223298 1.171528
C 4.707914 -0.332759 -1.390974
C -2.441550 -0.500144 0.023913
C -2.748418 0.058546 -2.154620
C -3.832296 -0.527934 -0.348387
C 3.209618 3.151725 -0.873865
C -4.770812 -0.883520 0.667102
C -2.956719 -1.099238 2.171737
H 1.773301 0.437631 1.471744
H 0.391896 -1.660654 1.246909
H -0.348124 1.173868 0.591681
H -0.067101 0.428730 -2.313918
H 2.733879 -2.377494 1.645334
H 2.185226 -3.384789 0.249021
H 3.882908 -0.570246 2.024362
H 5.464710 -0.693682 1.258840
H 4.602844 0.859720 1.295403
H 5.425849 0.479420 -1.255411
H 5.264111 -1.253123 -1.629175
H 4.083806 -0.113367 -2.271962
H -2.480690 0.356341 -3.159388
H 3.255875 3.771543 -1.782676
H 4.054612 3.465296 -0.244969
H 3.455408 2.116590 -1.204141
H -2.640505 -1.330780 3.203717
H -6.757456 -1.197124 1.173343
H -6.487427 -0.738793 -0.479444


%chk=000267501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267501

0 1
S 0.403717 -1.941008 -1.187826
S 1.493964 3.318739 0.131022
O 2.770510 0.165518 -0.525625
O 3.594148 -2.103597 -0.220236
O 0.672560 1.936751 -0.881037
O 1.918524 2.751316 1.592540
O 0.578105 4.639735 0.005777
N -1.765660 -0.152641 -1.129034
N -3.982871 0.016332 -1.713125
N -2.032435 -0.911985 1.233378
N -4.401858 -1.128374 1.862883
N -6.176164 -0.658245 0.374230
C 1.635408 -0.063168 0.386381
C 1.261372 -1.556742 0.470970
C 0.399647 0.677575 -0.177552
C -0.312714 -0.178688 -1.277149
C 2.496702 -2.436451 0.699986
C 3.962157 -0.678754 -0.222917
C 4.608384 -0.255038 1.113100
C 4.886208 -0.510597 -1.425344
C -2.498392 -0.523829 0.008230
C -2.712704 0.153319 -2.125805
C -3.860911 -0.408818 -0.375144
C 3.012862 3.450065 -1.001430
C -4.832718 -0.730725 0.617230
C -3.057117 -1.193561 2.096445
H 1.877033 0.335099 1.391183
H 0.504360 -1.709715 1.261475
H -0.297825 0.840109 0.664302
H -0.061380 0.224446 -2.270614
H 2.820955 -2.331032 1.757649
H 2.283007 -3.500575 0.510237
H 3.935940 -0.385942 1.977288
H 5.514274 -0.860068 1.288092
H 4.893071 0.810106 1.071845
H 5.223065 0.536638 -1.513290
H 5.768249 -1.162151 -1.312376
H 4.343759 -0.797709 -2.339740
H -2.408851 0.475571 -3.119871
H 2.623794 3.782981 -1.972737
H 3.685803 4.183857 -0.535827
H 3.407617 2.425177 -1.034358
H -2.766328 -1.511240 3.102226
H -6.826791 -0.897091 1.119791
H -6.511076 -0.362592 -0.540421


