%chk=000203319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203319

0 1
S -0.072822 -2.953454 0.640236
N -1.449047 -0.710584 0.851222
N 0.871405 -0.325300 0.528882
C -1.800045 0.740986 0.785074
C -1.839346 1.272387 -0.664152
C -3.153861 0.944646 1.497347
C 2.288826 -0.736924 0.501962
C -3.032556 0.735029 -1.460902
C -4.346988 0.428890 0.683293
C -4.356816 1.011429 -0.736152
C 2.793590 -0.886118 -0.953508
C 3.107271 0.334280 1.261875
C 2.860482 0.456016 -1.690967
C 3.183636 1.663579 0.500726
C 3.723850 1.465981 -0.922053
C -0.131332 -1.118412 0.614943
C 0.231085 -3.318343 -1.104623
H -1.003138 1.301701 1.347531
H -0.889156 1.021282 -1.175806
H -1.877096 2.378246 -0.633819
H -3.280516 2.026121 1.698830
H -3.132219 0.450322 2.488709
H 2.436697 -1.722270 1.026127
H -2.915734 -0.351644 -1.631890
H -3.049598 1.198713 -2.465408
H -5.289500 0.687585 1.202562
H -4.324738 -0.676674 0.636955
H -4.536171 2.102955 -0.690535
H -5.199528 0.587050 -1.312600
H 2.139164 -1.591979 -1.509834
H 3.797998 -1.350383 -0.929413
H 4.125195 -0.060116 1.438779
H 2.657268 0.503660 2.259161
H 3.260868 0.308774 -2.710007
H 1.835357 0.861576 -1.808624
H 2.169068 2.110010 0.453246
H 3.817002 2.379451 1.054441
H 4.772509 1.116513 -0.884039
H 3.740388 2.433003 -1.457240
H -2.186268 -1.335255 0.515840
H 0.505907 -4.377885 -1.186667
H 1.061790 -2.712681 -1.509005
H -0.660782 -3.143161 -1.714293


%chk=000203319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203319

0 1
S -0.114090 -3.002905 0.950564
N -1.433693 -0.624816 0.717596
N 0.850346 -0.374810 0.194934
C -1.760469 0.816941 0.623599
C -1.910379 1.283001 -0.852065
C -3.050222 1.111508 1.429296
C 2.253788 -0.822084 0.175413
C -3.173197 0.694754 -1.522817
C -4.322279 0.537534 0.754815
C -4.449112 1.023999 -0.709304
C 2.838296 -0.679151 -1.257907
C 3.080143 0.042645 1.170091
C 2.930365 0.798170 -1.707908
C 3.169760 1.520564 0.724594
C 3.754602 1.639661 -0.703659
C -0.153632 -1.113662 0.538260
C 0.281523 -3.672939 -0.773819
H -0.904339 1.356879 1.072026
H -0.995540 1.004250 -1.406045
H -1.971378 2.391118 -0.858215
H -3.156613 2.211972 1.503731
H -2.942884 0.725842 2.461552
H 2.328401 -1.885271 0.499063
H -3.063771 -0.406324 -1.605341
H -3.267194 1.081943 -2.555653
H -5.215591 0.833306 1.337868
H -4.301761 -0.573110 0.769831
H -4.608873 2.122539 -0.712641
H -5.338957 0.569606 -1.186668
H 2.218658 -1.257650 -1.971022
H 3.852716 -1.130147 -1.259920
H 4.101488 -0.387998 1.229720
H 2.630401 -0.034743 2.178036
H 3.377242 0.856961 -2.719720
H 1.905723 1.213164 -1.772834
H 2.152581 1.958227 0.737341
H 3.787009 2.094393 1.443365
H 4.806650 1.283161 -0.701333
H 3.776022 2.700496 -1.021579
H -2.173295 -1.303616 0.896932
H 0.296457 -4.770146 -0.678410
H 1.266042 -3.314784 -1.107922
H -0.498844 -3.369475 -1.487644


