%chk=000185220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185220

0 1
S 4.951617 -0.091882 -0.664453
O 3.018206 -1.433313 0.533400
N 2.460057 0.719462 -0.053234
C 0.058794 0.271552 -0.543147
C -1.350092 0.207599 0.055947
C 1.095725 0.609407 0.540158
C -2.394660 -0.155963 -1.011200
C 2.854692 2.036583 -0.616683
C -3.773323 -0.204131 -0.409672
C 3.306955 -0.362728 0.041469
C 3.555072 2.913734 0.418602
C -4.241277 -1.384450 0.188888
C -4.597154 0.931609 -0.435302
C -5.519679 -1.426682 0.750750
C -5.875248 0.883805 0.127918
C -6.339810 -0.294028 0.721360
C 5.708404 -1.744359 -0.446566
C 7.040583 -1.564362 0.242094
H 0.319554 -0.698899 -1.013627
H 0.095745 1.017088 -1.359754
H -1.616206 1.177214 0.520588
H -1.383350 -0.538975 0.874998
H 0.842815 1.561737 1.053071
H 1.104366 -0.189570 1.321430
H -2.140802 -1.132705 -1.472343
H -2.358507 0.575059 -1.843860
H 1.935676 2.545227 -0.990645
H 3.503247 1.890712 -1.512561
H 2.925951 3.094083 1.297777
H 4.485745 2.454191 0.780272
H 3.819962 3.888147 -0.007564
H -3.607195 -2.268362 0.216628
H -4.241808 1.851728 -0.893619
H -5.878112 -2.345069 1.212846
H -6.510899 1.767267 0.103901
H -7.334954 -0.329533 1.158306
H 5.812287 -2.205473 -1.446374
H 5.020065 -2.392286 0.143401
H 7.543824 -2.532473 0.378509
H 6.932607 -1.117623 1.241045
H 7.726626 -0.923139 -0.327254


%chk=000185220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185220

0 1
S 5.075045 0.038951 -0.965624
O 2.972134 -1.341901 0.191638
N 2.576360 0.928482 -0.175405
C 0.150925 0.377128 -0.616148
C -1.255376 0.282562 0.014405
C 1.216899 0.813662 0.414147
C -2.333155 -0.190764 -1.000635
C 3.010864 2.255128 -0.669658
C -3.714794 -0.301332 -0.371982
C 3.350029 -0.210201 -0.221878
C 3.650361 3.129727 0.430009
C -4.101328 -1.476574 0.323971
C -4.630819 0.780870 -0.426131
C -5.364838 -1.568855 0.949647
C -5.896257 0.694651 0.198165
C -6.267719 -0.481550 0.889762
C 5.691979 -1.738779 -0.735198
C 6.371624 -1.951818 0.623262
H 0.445482 -0.607012 -1.027490
H 0.134396 1.092877 -1.463581
H -1.556341 1.267193 0.426978
H -1.233150 -0.421910 0.870142
H 0.953820 1.796700 0.849669
H 1.259240 0.075228 1.234274
H -2.020448 -1.171536 -1.410024
H -2.357292 0.519147 -1.850839
H 2.120202 2.759216 -1.090511
H 3.719249 2.114757 -1.505565
H 2.951470 3.287260 1.271434
H 4.564457 2.651122 0.820963
H 3.923396 4.119958 0.021371
H -3.407938 -2.326123 0.369465
H -4.351471 1.694600 -0.966205
H -5.647133 -2.486602 1.478354
H -6.592304 1.539625 0.141835
H -7.249510 -0.552006 1.371486
H 6.374636 -1.908445 -1.584541
H 4.798905 -2.376777 -0.838773
H 6.743590 -2.992117 0.700014
H 5.652221 -1.785459 1.442887
H 7.228088 -1.268883 0.761811


