%chk=000182241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182241

0 1
S 0.655983 -0.641631 2.708122
S -4.134487 0.621366 -0.382078
O 2.290334 -0.094084 0.919317
O -1.072823 1.238187 0.829674
O 0.577752 3.496171 -0.125866
O 2.754068 2.354023 -1.790871
O 5.082595 0.870764 -1.155947
O -1.899065 -1.086401 1.181080
O -3.390641 -0.841066 -0.968805
O -4.333427 0.095302 1.152877
O -3.217247 1.717631 -0.410824
O -5.395141 0.648366 -1.030140
N -2.010776 -0.663485 -1.091851
C 0.868760 -0.052295 0.991961
C 0.343474 1.400709 0.887801
C 0.892967 2.119600 -0.363628
C 0.214248 -1.000579 -0.038827
C 2.425736 1.959156 -0.452288
C 2.874848 0.492134 -0.269291
C 0.711562 -2.448338 0.112537
C 4.386875 0.388540 0.001219
C -1.298381 -0.960177 0.127260
C 0.409977 -3.301185 -1.125389
C 0.985889 -4.707237 -0.977226
H 0.580907 2.002619 1.801908
H 0.394653 1.792117 -1.303848
H 0.502646 -0.628614 -1.058694
H 2.928786 2.644899 0.267621
H 2.580493 -0.113968 -1.154566
H 1.806070 -2.430104 0.310196
H 0.270284 -2.918656 1.017651
H 4.717746 1.066584 0.812895
H 4.687749 -0.643343 0.250164
H -0.710743 -0.614385 2.708382
H 0.827669 -2.825064 -2.033945
H -0.684098 -3.371377 -1.285741
H -1.520639 2.030928 0.392643
H 0.853023 4.038540 -0.903575
H 3.745062 2.323009 -1.906152
H 0.764271 -5.322310 -1.857533
H 0.567872 -5.226617 -0.105468
H 2.075079 -4.692171 -0.853905
H -1.751970 -1.166483 -1.947909
H 5.124320 0.175981 -1.847747
H -3.544761 -0.390153 1.559709


%chk=000182241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182241

0 1
S 0.637967 -0.637036 2.830125
S -4.390936 0.782308 -0.320891
O 2.347623 -0.114053 0.904236
O -1.078410 1.287147 0.860835
O 0.406435 3.417694 -0.410036
O 2.845944 2.577299 -1.717751
O 5.153267 1.132677 -1.186064
O -2.018140 -1.422602 1.008261
O -3.265430 -0.768511 -1.363614
O -4.341883 -0.087812 1.244929
O -3.464228 2.117879 -0.303326
O -5.929726 0.908102 -0.759281
N -1.928045 -0.646506 -1.183913
C 0.880612 -0.072461 1.028948
C 0.367882 1.386222 0.859125
C 0.906133 2.045864 -0.421537
C 0.215156 -1.062431 -0.002604
C 2.436143 1.994263 -0.437844
C 2.922497 0.531709 -0.300235
C 0.704917 -2.528922 0.178888
C 4.444351 0.451495 -0.076390
C -1.308975 -1.021722 0.030938
C 0.394274 -3.426981 -1.039808
C 0.931002 -4.861482 -0.847179
H 0.718062 1.978898 1.726729
H 0.536135 1.521321 -1.332446
H 0.539231 -0.725996 -1.011736
H 2.831577 2.590173 0.413597
H 2.642750 -0.027586 -1.220899
H 1.795256 -2.497362 0.362918
H 0.242198 -2.950858 1.089027
H 4.714981 1.000212 0.839852
H 4.768927 -0.599876 0.028133
H -0.719329 -0.880802 2.662682
H 0.841810 -2.984992 -1.955149
H -0.699450 -3.468171 -1.213784
H -1.534530 2.107356 0.528021
H 0.840361 3.906565 -1.156570
H 3.834447 2.440168 -1.789906
H 0.703113 -5.496497 -1.721988
H 0.476957 -5.335694 0.042296
H 2.027803 -4.861068 -0.703624
H -1.399979 -0.149702 -1.914688
H 5.404784 0.479628 -1.883741
H -3.496039 -0.690954 1.226368


