%chk=000232830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232830

0 1
S 0.461959 4.200003 -1.911496
O 2.820485 0.084410 -1.896254
O -1.942788 1.392605 2.169978
N 3.162815 -0.398850 0.355020
N -3.069388 1.015200 0.167548
N 2.534473 -1.667958 0.209051
N -2.898754 -0.385869 0.297242
C 2.400760 2.852772 -0.496372
C -1.180523 3.816719 0.227273
C 1.832155 3.012524 -1.899362
C -0.934881 3.291851 -1.180282
C 3.584466 1.874347 -0.477995
C -2.500217 3.310822 0.824297
C 3.109984 0.461113 -0.781060
C -2.420237 1.827911 1.146810
C 1.532193 -1.984857 1.197502
C -2.082095 -1.043028 -0.690790
C 1.457499 -3.301913 1.690280
C -2.381419 -2.384268 -1.003053
C 0.575706 -1.026949 1.578250
C -0.947220 -0.419841 -1.239398
C 0.411267 -3.650359 2.547142
C -1.518308 -3.099723 -1.834334
C -0.464769 -1.396562 2.432703
C -0.088734 -1.159359 -2.056554
C -0.546294 -2.703699 2.924520
C -0.373939 -2.493768 -2.362402
H 2.741290 3.835603 -0.105817
H 1.616804 2.507580 0.208576
H -1.200903 4.928973 0.225789
H -0.339290 3.542458 0.899295
H 2.591089 3.418249 -2.601250
H 1.525555 2.035972 -2.330701
H -0.743478 2.195338 -1.186264
H -1.807606 3.467178 -1.839471
H 4.331033 2.158530 -1.252354
H 4.128536 1.949508 0.482548
H -3.354732 3.560333 0.166728
H -2.704536 3.851028 1.776581
H 3.075247 0.034942 1.285770
H -3.131534 1.377219 -0.794332
H 3.275506 -2.385798 0.124147
H -3.826721 -0.820735 0.435470
H 2.190325 -4.048032 1.397413
H -3.257090 -2.870990 -0.583390
H 0.603175 -0.016279 1.180073
H -0.705821 0.618323 -1.004752
H 0.344358 -4.670073 2.924469
H -1.738944 -4.140673 -2.068991
H -1.227911 -0.651388 2.694930
H 0.829920 -0.698600 -2.439692
H -1.357714 -2.982915 3.591657
H 0.303445 -3.060222 -2.997193


%chk=000232830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232830

0 1
S 0.995305 4.634941 -2.073569
O 2.784933 0.175284 -1.089969
O -0.619919 1.641503 1.193201
N 3.017145 -0.167049 1.192525
N -2.521943 0.916869 0.076367
N 2.751822 -1.542478 1.108536
N -2.199911 -0.447497 0.178936
C 2.399834 3.121955 -0.064447
C -1.106798 4.248495 -0.145457
C 2.242066 3.286092 -1.587162
C -0.616548 3.792173 -1.534907
C 3.491909 2.081966 0.326729
C -2.236029 3.339307 0.412954
C 3.059040 0.641705 0.057700
C -1.714125 1.912563 0.601349
C 1.575766 -2.075149 1.695988
C -1.984678 -1.196292 -1.011671
C 1.372531 -3.482810 1.639070
C -1.521464 -2.535010 -0.885348
C 0.643996 -1.260075 2.394445
C -2.278100 -0.673908 -2.298795
C 0.258077 -4.062476 2.277989
C -1.356189 -3.330396 -2.035165
C -0.459751 -1.860296 3.043288
C -2.113614 -1.488521 -3.441405
C -0.663847 -3.259599 2.994264
C -1.655870 -2.819344 -3.322084
H 2.678540 4.099855 0.372897
H 1.440774 2.815407 0.391975
H -1.464742 5.293445 -0.195773
H -0.264991 4.231070 0.567207
H 3.187693 3.620584 -2.051682
H 1.938723 2.342007 -2.067322
H -0.418166 2.706158 -1.558097
H -1.356989 4.022226 -2.321184
H 4.413640 2.276505 -0.255884
H 3.745769 2.215196 1.396396
H -3.118425 3.353304 -0.257069
H -2.560103 3.730379 1.396722
H 3.376793 0.163736 2.090635
H -3.466837 1.129625 -0.252184
H 3.080167 -1.952375 0.228295
H -1.597967 -0.655947 0.985154
H 2.095819 -4.114914 1.109966
H -1.291566 -2.940092 0.106714
H 0.757823 -0.172155 2.394300
H -2.603831 0.365198 -2.412869
H 0.116451 -5.148167 2.228198
H -0.991328 -4.358131 -1.925092
H -1.164120 -1.223818 3.592496
H -2.336121 -1.072326 -4.430787
H -1.519398 -3.715489 3.502894
H -1.527045 -3.444429 -4.211764


