%chk=000269411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269411

0 1
S 4.381970 0.376219 -1.017855
O -0.776073 4.642498 0.305873
O 1.314904 5.329126 -0.097938
O 4.088070 -2.136050 -0.083887
O 1.822544 -3.391761 1.086309
O 4.607157 -0.496404 -2.148018
O 4.359496 1.810329 -1.253282
O -3.196564 -1.627729 -2.071173
O -5.407824 -1.722970 -0.264057
N 5.637822 0.139855 0.123528
C -0.495285 2.287144 0.261229
C 0.866912 2.957647 0.548694
C -0.543934 0.964837 1.037238
C 1.962923 2.190828 -0.171009
C 0.704282 0.152266 0.708397
C -1.494919 3.399360 0.607958
C 1.864179 0.715112 0.131708
C 0.605767 4.410609 0.190629
C -1.833500 0.237012 0.714766
C 2.952065 -0.130572 -0.169513
C 0.665616 -1.216807 1.033221
C 2.911926 -1.487624 0.172970
C 1.750805 -2.043622 0.774267
C -2.003685 -0.393132 -0.527947
C -2.871212 0.218464 1.650072
C -3.206856 -1.039379 -0.830402
C -4.084005 -0.421567 1.357968
C -4.262346 -1.050161 0.127111
C 4.078611 -3.587813 -0.175613
C 0.561290 -4.076170 1.296606
C -4.428576 -2.214005 -2.563520
C -6.560118 -1.635950 0.609336
H -0.584248 2.060510 -0.833132
H 1.089573 2.946067 1.650764
H -0.510254 1.178702 2.139784
H 2.965682 2.605957 0.110949
H 1.933653 2.364745 -1.272290
H -2.387223 3.428403 -0.035633
H -1.780087 3.447923 1.668883
H -0.235131 -1.628042 1.495183
H -1.204483 -0.392534 -1.271292
H -2.751922 0.701998 2.617590
H -4.875474 -0.420556 2.103491
H 6.020594 -0.794876 0.242539
H 6.378310 0.832809 0.181865
H 3.901285 -4.013394 0.819231
H 5.092140 -3.790547 -0.542695
H 3.320725 -3.915632 -0.893162
H 0.101998 -3.736405 2.229284
H 0.887185 -5.120854 1.377956
H -0.104084 -3.935812 0.439453
H -5.217349 -1.456624 -2.606498
H -4.723411 -3.054390 -1.925467
H -4.131762 -2.547820 -3.564603
H -6.866365 -0.593893 0.738242
H -6.349146 -2.122248 1.565882
H -7.311446 -2.198779 0.040309


%chk=000269411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269411

0 1
S 4.625269 0.336953 -0.860329
O -0.857156 4.624730 -0.020349
O 1.337593 5.276350 -0.457405
O 4.171242 -2.269851 0.297619
O 1.834907 -3.418023 1.298347
O 4.841850 -0.660121 -2.132619
O 4.729456 1.932530 -1.143002
O -3.381863 -1.800540 -2.075023
O -5.489982 -1.930435 -0.160835
N 5.779417 0.048223 0.518683
C -0.529496 2.257868 0.131413
C 0.813096 2.962366 0.383940
C -0.595086 0.956967 0.950108
C 1.976388 2.196039 -0.244456
C 0.696746 0.136475 0.700422
C -1.542921 3.372387 0.445936
C 1.888748 0.716194 0.156757
C 0.551361 4.395087 -0.087833
C -1.887099 0.180931 0.685577
C 2.982689 -0.173335 -0.007492
C 0.670752 -1.228490 1.072924
C 2.981741 -1.529803 0.373121
C 1.788051 -2.070152 0.930106
C -2.114521 -0.452069 -0.562779
C -2.909388 0.125967 1.658686
C -3.315169 -1.133075 -0.842811
C -4.124979 -0.549459 1.399800
C -4.338110 -1.193367 0.159618
C 4.182259 -3.417117 -0.652423
C 0.620864 -3.996896 1.889536
C -4.580611 -1.605486 -2.919481
C -6.525907 -2.051186 0.869638
H -0.600174 2.012034 -0.947248
H 0.973404 3.026295 1.484071
H -0.598561 1.242904 2.025296
H 2.946312 2.624290 0.054578
H 1.947310 2.296401 -1.346632
H -2.492871 3.308698 -0.104258
H -1.739330 3.472073 1.531140
H -0.261973 -1.626886 1.482128
H -1.349058 -0.448454 -1.346594
H -2.762116 0.608273 2.632622
H -4.893695 -0.583070 2.177633
H 5.810023 -0.968437 0.706450
H 6.683428 0.496945 0.302574
H 3.352631 -4.103807 -0.420188
H 5.149906 -3.913418 -0.487275
H 4.125402 -3.020003 -1.680188
H 0.350906 -3.477051 2.828256
H 0.881414 -5.043085 2.104466
H -0.227390 -3.957173 1.180188
H -4.714700 -0.531698 -3.152986
H -5.482121 -2.000975 -2.425587
H -4.363969 -2.163180 -3.842976
H -6.944461 -1.062180 1.138519
H -6.131013 -2.549053 1.776034
H -7.309247 -2.674806 0.414884


