%chk=000272660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272660

0 1
S 0.004027 4.119140 -0.019238
O 0.008687 4.844820 -1.282283
O 0.000267 4.850728 1.240411
N -4.775985 0.554536 -0.098174
N 4.779309 0.548523 0.077088
N -4.821957 -0.511072 0.578461
N 4.825184 -0.518360 -0.597626
N -6.940038 -3.393294 1.463849
N 6.940991 -3.405200 -1.473359
N -8.307914 -1.913643 0.044532
N 8.308047 -1.924836 -0.054012
N -4.741345 -2.887436 2.005320
N 4.744153 -2.897230 -2.020333
N -7.488612 0.063272 -0.834356
N 7.489636 0.054706 0.819769
N -9.163168 -3.931524 0.903123
N 9.162005 -3.945850 -0.906543
C -1.363216 3.047887 -0.019902
C 1.369963 3.046222 -0.013525
C -1.904984 2.609058 -1.232882
C 1.911661 2.613109 1.201545
C -1.937502 2.648493 1.189878
C 1.943298 2.639773 -1.221395
C -3.000454 1.747456 -1.246307
C 3.006059 1.750232 1.219082
C -3.032463 1.783635 1.199419
C 3.037187 1.773519 -1.226794
C -3.563803 1.333712 -0.023150
C 3.568418 1.329294 -0.002095
C -5.972719 -1.290021 0.579851
C 5.974794 -1.298960 -0.595189
C -5.886239 -2.519795 1.347050
C 5.888172 -2.530027 -1.360304
C -7.243648 -1.041473 -0.068929
C 7.244757 -1.051018 0.055746
C -8.111055 -3.052719 0.801617
C 8.111099 -3.065102 -0.809282
H -1.475534 2.952926 -2.180752
H 1.482994 2.962516 2.147753
H -1.534950 3.022604 2.138327
H 1.540887 3.009415 -2.171645
H -3.425786 1.402124 -2.187401
H 3.431330 1.409324 2.161823
H -3.480437 1.467479 2.139777
H 3.484449 1.451935 -2.165654
H -3.916955 -2.306329 1.980817
H -4.709228 -3.745689 2.534900
H 4.711852 -3.756509 -2.548220
H 3.920433 -2.315084 -1.998316
H -6.784236 0.778379 -0.983627
H -8.396694 0.195708 -1.257402
H 6.785987 0.771165 0.966093
H 8.397070 0.186739 1.244318
H -10.046757 -3.720650 0.467434
H -9.081318 -4.761642 1.467852
H 10.045309 -3.734902 -0.470285
H 9.080475 -4.776367 -1.470756


%chk=000272660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272660

0 1
S 0.003710 3.742892 -0.017702
O 0.013909 4.515608 -1.464171
O -0.005641 4.521506 1.425611
N -4.939735 0.169001 -0.179055
N 4.943237 0.164273 0.158335
N -5.404545 -0.325187 0.969763
N 5.408059 -0.334391 -0.988553
N -8.126477 -2.425326 2.273829
N 8.127607 -2.442252 -2.285036
N -8.445329 -2.242823 -0.166405
N 8.445558 -2.253155 0.154801
N -6.326778 -1.369088 3.330897
N 6.330162 -1.386164 -3.346076
N -6.938194 -0.997586 -1.470325
N 6.939816 -1.001830 1.454411
N -9.905172 -3.458857 1.182383
N 9.904076 -3.475496 -1.189720
C -1.505589 2.602967 -0.031285
C 1.511774 2.601397 0.000547
C -2.072868 2.270984 -1.272500
C 2.079059 2.274413 1.243080
C -2.043314 2.189053 1.201168
C 2.048653 2.181283 -1.230180
C -3.219180 1.452499 -1.274084
C 3.224467 1.454677 1.248029
C -3.186518 1.369803 1.188377
C 3.190951 1.360838 -1.214020
C -3.779324 0.985751 -0.051206
C 3.783762 0.981819 0.027109
C -6.536124 -1.107338 0.921184
C 6.538546 -1.117966 -0.937001
C -7.014643 -1.647644 2.184675
C 7.016943 -1.662590 -2.198687
C -7.327020 -1.462006 -0.251758
C 7.328409 -1.470373 0.237357
C -8.782219 -2.677743 1.089063
C 8.782350 -2.692289 -1.099219
H -1.642860 2.667655 -2.197979
H 1.649718 2.675717 2.166870
H -1.589933 2.529510 2.138255
H 1.595343 2.517921 -2.168679
H -3.700489 1.165273 -2.214405
H 3.705743 1.171190 2.189502
H -3.642064 1.028051 2.121160
H 3.645759 1.014260 -2.145380
H -5.493349 -0.786138 3.263788
H -6.661079 -1.742646 4.215964
H 6.664366 -1.762724 -4.229907
H 5.497640 -0.801683 -3.281080
H -6.077144 -0.406929 -1.469407
H -7.495640 -1.239791 -2.289211
H 6.079632 -0.409899 1.451395
H 7.496547 -1.242541 2.274227
H -10.428798 -3.675180 0.338183
H -10.193270 -3.803526 2.094396
H 10.426939 -3.690227 -0.344641
H 10.192064 -3.823255 -2.100594


