%chk=000257765.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257765

0 1
S 6.486359 0.793969 -0.308446
O 7.018688 0.487788 1.004624
O 7.060831 0.207435 -1.503119
N 6.670033 2.494870 -0.495275
N 0.582331 0.142628 -0.362087
N -3.453193 0.248219 0.001548
N -0.008539 -0.900982 -0.017236
N -2.136014 0.168398 -0.032486
N -3.290919 -2.543540 0.008340
C 4.781789 0.551028 -0.310021
C 4.112010 0.314331 -1.516956
C 4.071071 0.581817 0.895353
C 2.024188 0.162274 -0.314588
C 2.732216 0.118118 -1.530456
C 2.690465 0.385251 0.904163
C -4.058284 1.554209 0.037827
C -1.447460 -0.969940 -0.024001
C -1.932726 -2.372723 0.027478
C -5.464632 1.595400 0.116956
C -3.302831 2.738763 -0.008340
C -1.055960 -3.478260 0.090938
C -6.103984 2.835546 0.149528
C -3.965847 3.966287 0.026281
C -5.361618 4.020391 0.105060
C -1.590194 -4.765582 0.130110
C -2.978242 -4.943113 0.106781
C -3.793255 -3.804634 0.047270
H 4.674357 0.270435 -2.457581
H 4.600432 0.746310 1.841740
H 2.205233 -0.062318 -2.466790
H 2.133132 0.404528 1.839879
H 7.050113 3.025222 0.285155
H 7.074840 2.841769 -1.361640
H -6.051940 0.680549 0.152557
H -2.212799 2.696624 -0.072470
H -4.077017 -0.584153 0.017244
H 0.025153 -3.326250 0.113512
H -7.191573 2.877506 0.210456
H -3.386865 4.889700 -0.009313
H -5.869023 4.982493 0.131323
H -0.927506 -5.630950 0.179126
H -3.415055 -5.937928 0.134918
H -4.886465 -3.883784 0.029039


%chk=000257765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257765

0 1
S 6.680314 0.721891 -0.659453
O 7.302987 -0.682421 -0.115043
O 7.110975 1.408243 -2.073029
N 7.023697 1.977169 0.647455
N 0.611320 0.294411 -0.684958
N -3.379233 0.279666 -0.063448
N 0.075141 -0.766911 -0.123236
N -2.042575 0.330090 -0.193813
N -3.253088 -2.261495 0.406076
C 4.808384 0.566425 -0.638855
C 4.064730 1.419190 -1.471642
C 4.236276 -0.409360 0.198448
C 2.040512 0.313020 -0.624702
C 2.662521 1.288720 -1.451797
C 2.835747 -0.534380 0.202810
C -4.144372 1.462973 -0.157015
C -1.329838 -0.812078 -0.037815
C -1.877972 -2.148304 0.286394
C -5.553222 1.358905 -0.007026
C -3.537996 2.724794 -0.398107
C -1.033866 -3.283929 0.458832
C -6.351823 2.517129 -0.097905
C -4.350112 3.871591 -0.485937
C -5.756617 3.778407 -0.337030
C -1.610900 -4.530698 0.755075
C -3.019711 -4.638530 0.877823
C -3.795942 -3.477577 0.694272
H 4.568352 2.140771 -2.122030
H 4.876409 -1.055484 0.807775
H 2.022887 1.925071 -2.070787
H 2.335458 -1.271114 0.837733
H 7.604083 1.527023 1.374878
H 7.487637 2.784060 0.197680
H -6.012839 0.380622 0.177984
H -2.451794 2.775466 -0.510963
H -3.790872 -0.688573 0.135648
H 0.044314 -3.150163 0.351801
H -7.438019 2.435240 0.018060
H -3.885267 4.846137 -0.671811
H -6.379060 4.676695 -0.406846
H -0.975523 -5.412471 0.888621
H -3.502285 -5.592993 1.106068
H -4.887514 -3.509531 0.776220


