%chk=000248532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248532

0 1
S -1.785846 -1.029466 -2.211166
S 1.426503 -0.896626 2.170632
O -1.051882 3.387340 -2.322897
O -0.504681 -1.630198 -1.901686
O -2.343801 -1.140501 -3.542302
O 0.117603 -1.464013 1.832443
O 1.879436 -1.012029 3.539917
N -1.547134 0.712475 -2.095816
N 1.356918 0.784763 1.805162
N -5.816211 -2.344496 1.860954
N 5.539015 -2.902418 -1.554317
C 0.797729 2.880238 0.776318
C 0.201302 3.562241 -0.305783
C -0.758882 1.343156 -1.144345
C 0.676726 1.388725 0.885822
C -0.570514 2.845100 -1.349874
C -0.188927 0.723180 -0.085573
C 1.501469 3.609535 1.741868
C 0.325291 4.954571 -0.411525
C -2.936408 -1.390776 -1.031189
C 1.617043 5.000914 1.631893
C 1.032544 5.673775 0.557137
C 2.607255 -1.490054 1.092348
C -4.305746 -1.378675 -1.357410
C -2.545484 -1.731873 0.280408
C 3.948642 -1.567860 1.498217
C 2.248372 -1.916339 -0.198818
C -5.270883 -1.683031 -0.413345
C -3.488097 -2.041079 1.244844
C -4.867183 -2.019942 0.909116
C 4.928068 -2.053233 0.643475
C 3.206542 -2.404368 -1.075069
C 4.560894 -2.471377 -0.661861
H -0.344103 -0.355978 0.087251
H -1.879358 1.316817 -2.872426
H 1.964342 3.082713 2.585010
H -0.137129 5.469449 -1.259239
H 2.168090 5.557305 2.391328
H 1.125318 6.755967 0.470563
H -4.614273 -1.129781 -2.381025
H -1.470558 -1.751555 0.556351
H 4.226853 -1.247713 2.510496
H 1.196108 -1.872754 -0.531520
H -6.322924 -1.671423 -0.679947
H -3.160859 -2.296189 2.251764
H 5.962150 -2.104308 0.967994
H 2.912243 -2.721765 -2.072700
H -5.555019 -2.531629 2.812862
H -6.797983 -2.281519 1.664400
H 6.461460 -3.121371 -1.221192
H 5.269769 -3.353827 -2.411749


%chk=000248532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248532

0 1
S -1.897986 -0.858003 -2.186831
S 1.378221 -0.844530 2.249911
O -1.181087 3.571973 -2.246269
O -0.455939 -1.544268 -1.888169
O -2.558531 -0.836062 -3.668921
O -0.068788 -1.528570 1.868450
O 1.933025 -0.962699 3.766546
N -1.731209 0.977978 -1.848294
N 1.488882 1.063406 1.905663
N -6.037514 -2.829291 1.742974
N 5.616414 -3.066376 -1.461142
C 0.950760 3.076649 0.744688
C 0.288664 3.753458 -0.322541
C -0.845501 1.560632 -0.968112
C 0.733441 1.602845 0.941097
C -0.609347 3.024712 -1.248113
C -0.218997 0.920281 0.087234
C 1.808286 3.805855 1.603154
C 0.491960 5.144480 -0.515230
C -3.149410 -1.464314 -0.956387
C 2.002229 5.188942 1.405258
C 1.344357 5.861616 0.344620
C 2.671085 -1.517254 1.085036
C -4.500375 -1.450337 -1.357098
C -2.720240 -1.922030 0.305128
C 3.984963 -1.645035 1.574680
C 2.300277 -1.891569 -0.221595
C -5.466829 -1.913276 -0.451511
C -3.697632 -2.377731 1.203706
C -5.081584 -2.378324 0.845609
C 4.970981 -2.167392 0.721538
C 3.293771 -2.410023 -1.069100
C 4.641357 -2.553132 -0.614737
H -0.409703 -0.134017 0.290003
H -2.042268 1.548803 -2.651937
H 2.307303 3.271409 2.416309
H -0.028732 5.632965 -1.344878
H 2.664996 5.745193 2.076835
H 1.499174 6.935187 0.195172
H -4.778486 -1.105178 -2.357924
H -1.665271 -1.935702 0.603333
H 4.214901 -1.357342 2.605729
H 1.269415 -1.801408 -0.583016
H -6.523480 -1.918642 -0.741813
H -3.384217 -2.731260 2.191922
H 5.999216 -2.281022 1.083852
H 3.024440 -2.708356 -2.088544
H -5.770057 -3.158735 2.666627
H -7.024609 -2.832003 1.501197
H 6.576718 -3.175662 -1.147850
H 5.386754 -3.346742 -2.410459


