%chk=000279834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279834

0 1
S 0.442671 -1.070657 0.624340
O -2.585260 0.041006 -2.123542
O -1.337591 -3.866172 0.495098
O -5.162314 1.583097 2.278874
O -4.387119 3.469986 1.351555
O 3.251283 -0.656788 0.370432
O 2.065449 -3.027133 0.070946
O 3.090517 -4.792090 1.028642
O 5.909255 5.010438 -0.147000
N -2.397933 -1.668009 -0.625923
N 0.214194 -4.268838 -1.157020
N -6.550877 3.040505 -0.563158
C -1.153949 -2.179810 -1.243218
C -4.779353 1.241267 -0.925459
C -4.228105 -0.060641 -0.340349
C 0.004451 -1.181603 -1.137700
C -5.795930 1.908446 0.022267
C -3.009633 -0.514322 -1.121070
C -0.777361 -3.492088 -0.516402
C -5.044400 2.467784 1.229346
C 1.229305 0.548927 0.745846
C 1.048109 -5.125184 -0.287365
C 2.705908 0.427655 0.463230
C 3.485099 1.680954 0.313724
C 2.918808 2.959028 0.444581
C 4.865626 1.558242 0.031857
C 2.191452 -4.349730 0.356445
C 3.698904 4.104006 0.297575
C 5.665696 2.681008 -0.120685
C 5.067147 3.948358 0.015115
H -1.362550 -2.378275 -2.334931
H -5.253533 1.035483 -1.907376
H -3.942806 1.936329 -1.161513
H -3.973266 0.071791 0.735590
H -5.006872 -0.853136 -0.357155
H 0.885820 -1.509135 -1.720877
H -0.306891 -0.198337 -1.552687
H -6.546117 1.146532 0.381575
H -2.639060 -2.071347 0.287196
H 0.756303 -3.822528 -1.903027
H 0.735207 1.291870 0.090338
H 1.068098 0.908868 1.787583
H -5.929495 3.786107 -0.872581
H -7.100889 2.737154 -1.361417
H 1.455146 -5.976701 -0.881744
H 0.417298 -5.579406 0.524004
H 1.855317 3.074673 0.664902
H 5.297233 0.554002 -0.064065
H -4.714182 1.900432 3.107719
H 3.257091 5.090367 0.399567
H 6.730323 2.606786 -0.338229
H 2.768290 -2.419116 0.505585
H 5.449387 5.883446 -0.042342


%chk=000279834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279834

0 1
S 0.392793 -0.504518 0.721263
O -2.926912 -0.052559 -2.190439
O -1.390114 -3.535156 0.906730
O -6.977591 0.258709 1.658915
O -6.452386 2.459361 2.176076
O 3.480841 -0.630633 0.039501
O 2.505997 -2.984859 -0.449449
O 2.956231 -4.171143 1.512591
O 6.964223 4.718291 -0.161142
N -2.500644 -1.518198 -0.447605
N 0.150882 -4.037933 -0.780486
N -6.707611 3.103160 -0.532354
C -1.262911 -2.028409 -1.033022
C -4.890959 1.318734 -0.535602
C -4.565113 -0.179182 -0.349331
C -0.114824 -0.976347 -1.050667
C -6.365635 1.718634 -0.181123
C -3.269358 -0.562508 -1.072296
C -0.854693 -3.282415 -0.216508
C -6.600617 1.561364 1.317402
C 1.571168 0.907129 0.345712
C 1.060769 -4.828598 0.061025
C 3.055674 0.562650 0.143394
C 4.024772 1.689930 0.070345
C 3.627629 3.056809 0.098733
C 5.415515 1.384910 -0.037516
C 2.281137 -3.977250 0.480383
C 4.582384 4.085632 0.020207
C 6.376462 2.400266 -0.111502
C 5.959129 3.755879 -0.083136
H -1.445290 -2.296344 -2.094006
H -4.729435 1.567316 -1.601609
H -4.194425 1.946542 0.053330
H -4.513262 -0.454382 0.719331
H -5.385224 -0.784606 -0.786977
H 0.773397 -1.385729 -1.560423
H -0.482035 -0.074587 -1.567110
H -7.041576 1.015158 -0.703413
H -2.752149 -1.930307 0.459987
H 0.578491 -3.672929 -1.635694
H 1.193960 1.445571 -0.544822
H 1.476118 1.598007 1.202016
H -6.454187 3.786933 0.187338
H -6.444632 3.377702 -1.481356
H 1.404111 -5.731554 -0.474065
H 0.528318 -5.144016 0.971241
H 2.571078 3.331204 0.176095
H 5.713310 0.332114 -0.056565
H -7.090708 0.196636 2.646971
H 4.263675 5.135332 0.039553
H 7.444109 2.177590 -0.189181
H 3.006503 -2.151375 -0.131294
H 6.597515 5.637475 -0.132349


