%chk=000210833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210833

0 1
S -2.215737 1.810140 1.978921
N 2.704250 0.970741 0.237732
C 2.761216 0.377085 -1.140018
C 4.010079 0.787426 0.957107
C 3.873009 1.055556 -1.956874
C 5.138760 1.474375 0.170213
C 5.231473 0.922675 -1.257686
C 1.592108 0.348077 1.034350
C 0.249122 0.773505 0.486856
C 0.020900 2.258614 0.382679
C -0.703939 -0.115575 0.138536
C -0.738152 2.808104 1.578524
C -2.048393 0.302651 -0.314757
C -0.509419 -1.583723 0.212853
C -2.806654 1.219163 0.430470
C -2.596233 -0.217064 -1.500382
C -4.078701 1.617950 0.017144
C 0.174864 -2.262952 -0.806997
C -1.024910 -2.297649 1.305999
C -3.868951 0.177144 -1.918644
C -4.612180 1.091567 -1.163189
C 0.343725 -3.647992 -0.728864
C -0.850964 -3.681778 1.377294
C -0.166681 -4.358784 0.362002
H 1.777459 0.560348 -1.625611
H 2.917502 -0.723132 -1.126067
H 4.262720 -0.281793 1.123971
H 3.915710 1.261468 1.958000
H 3.627546 2.128114 -2.091209
H 3.912789 0.614316 -2.968912
H 6.097791 1.338877 0.701756
H 4.949759 2.566144 0.135230
H 5.548239 -0.137083 -1.237593
H 6.008414 1.465553 -1.826675
H 1.672297 -0.760978 1.096315
H 1.662432 0.720846 2.084431
H 1.001660 2.785534 0.289286
H -0.515171 2.497029 -0.561785
H -0.115767 2.795518 2.495328
H -1.045510 3.855689 1.403304
H -2.025629 -0.935924 -2.087309
H -4.654293 2.332467 0.607351
H 0.569554 -1.710192 -1.656584
H -1.562121 -1.766523 2.092048
H -4.286427 -0.231635 -2.837985
H -5.603893 1.393252 -1.493683
H 0.872965 -4.174803 -1.520786
H -1.251773 -4.234879 2.225260
H -0.034249 -5.436868 0.420053


%chk=000210833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210833

0 1
S -2.093982 2.121188 2.010515
N 2.778240 0.940305 0.182155
C 2.950103 0.421202 -1.197406
C 4.040167 0.857048 0.960621
C 4.043146 1.204992 -1.951663
C 5.168337 1.653664 0.274355
C 5.380276 1.163081 -1.176329
C 1.639199 0.305322 0.900442
C 0.277568 0.697285 0.335432
C 0.074701 2.192570 0.144196
C -0.746141 -0.194441 0.109012
C -0.458227 2.901658 1.400366
C -2.126873 0.286751 -0.221437
C -0.581919 -1.686686 0.180839
C -2.782532 1.344454 0.485560
C -2.847946 -0.354051 -1.269654
C -4.094953 1.740416 0.125031
C 0.374714 -2.373197 -0.615463
C -1.428453 -2.453866 1.027000
C -4.153685 0.039310 -1.624133
C -4.784244 1.093083 -0.922682
C 0.495167 -3.779211 -0.554448
C -1.303888 -3.858436 1.096163
C -0.340216 -4.528508 0.306118
H 1.980947 0.509525 -1.723919
H 3.224703 -0.668190 -1.184209
H 4.369722 -0.209086 1.084957
H 3.849810 1.260733 1.973480
H 3.714042 2.256144 -2.065729
H 4.166121 0.780446 -2.966756
H 6.100959 1.550738 0.861893
H 4.893483 2.726277 0.265069
H 5.761621 0.120712 -1.159024
H 6.145358 1.778250 -1.686580
H 1.739123 -0.802056 0.955906
H 1.684216 0.676633 1.947186
H 1.055716 2.640143 -0.111803
H -0.622709 2.385185 -0.691566
H 0.231127 2.799110 2.256106
H -0.641137 3.971880 1.204755
H -2.363198 -1.177346 -1.806167
H -4.569098 2.557100 0.678894
H 1.009468 -1.799523 -1.299478
H -2.180083 -1.939215 1.636127
H -4.676325 -0.472245 -2.439894
H -5.799139 1.410029 -1.186917
H 1.234195 -4.289222 -1.183058
H -1.959275 -4.429997 1.763194
H -0.247609 -5.619359 0.354347


