%chk=000232718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232718

0 1
S -3.574949 1.174381 1.663497
S 3.428046 -2.065868 0.766040
N -1.224596 0.732124 0.443326
N 1.233324 -0.731700 -0.032411
C -0.336776 1.072303 -0.729972
C 0.403235 -0.218817 -1.171915
C -0.406525 0.180072 1.574962
C 0.339945 -1.085692 1.118136
C -1.172712 1.587482 -1.907462
C -2.055130 1.864584 0.899483
C 2.076464 -1.872264 -0.454176
C -4.514771 0.533863 0.317129
C 4.550709 -0.747525 0.440841
C -5.819688 1.008894 0.160604
C -3.996942 -0.459352 -0.515650
C 4.122057 0.578524 0.369883
C 5.902759 -1.083777 0.325900
C -6.621523 0.471569 -0.851853
C -4.803340 -0.982718 -1.532094
C 5.069345 1.589177 0.173171
C 6.842703 -0.064794 0.140711
C -6.113292 -0.520354 -1.698166
C 6.426591 1.269080 0.061650
H 0.426583 1.843860 -0.447709
H -0.333580 -0.965409 -1.538688
H 1.078647 0.026212 -2.018827
H -1.097759 -0.089692 2.405564
H 0.321899 0.919641 1.974648
H 0.968658 -1.459373 1.957473
H -0.389836 -1.886278 0.868311
H -0.564580 1.701986 -2.810603
H -1.999737 0.902514 -2.143006
H -1.623052 2.564477 -1.692354
H -2.342949 2.529335 0.057184
H -1.600770 2.500624 1.689816
H 2.510386 -1.685855 -1.458914
H 1.565523 -2.859230 -0.480777
H -6.213572 1.786343 0.815558
H -2.973248 -0.819871 -0.375704
H 3.060294 0.825039 0.465465
H 6.227250 -2.123213 0.378571
H -7.641587 0.827959 -0.981802
H -4.412206 -1.756405 -2.189543
H 4.748249 2.627206 0.112754
H 7.899303 -0.311498 0.054925
H -6.739824 -0.934171 -2.486242
H 7.161073 2.058705 -0.085934


%chk=000232718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232718

0 1
S -3.654156 1.177487 1.751305
S 3.521157 -2.173279 0.935760
N -1.168476 0.770327 0.425925
N 1.185932 -0.830283 0.021621
C -0.240120 1.091806 -0.704902
C 0.485400 -0.209677 -1.124151
C -0.457660 0.153721 1.573699
C 0.272700 -1.123877 1.145070
C -0.965915 1.690077 -1.926597
C -2.087560 1.823195 0.837006
C 2.094387 -1.912841 -0.322843
C -4.654783 0.525562 0.347231
C 4.651408 -0.783426 0.501362
C -5.998950 0.955183 0.226451
C -4.124216 -0.421405 -0.563453
C 4.172677 0.533261 0.291272
C 6.039117 -1.058144 0.427400
C -6.814277 0.432430 -0.804008
C -4.939877 -0.919891 -1.605441
C 5.088111 1.566878 -0.013249
C 6.948216 -0.012280 0.147005
C -6.286203 -0.501332 -1.726125
C 6.476327 1.301751 -0.080554
H 0.548305 1.807861 -0.358260
H -0.273694 -0.897045 -1.575790
H 1.232995 0.036784 -1.901259
H -1.210649 -0.092953 2.344270
H 0.280171 0.865158 2.019321
H 0.874348 -1.510018 1.988370
H -0.479090 -1.902498 0.864215
H -0.285135 1.690434 -2.797215
H -1.858803 1.092172 -2.183205
H -1.281605 2.735052 -1.763997
H -2.450273 2.388571 -0.030955
H -1.666810 2.527492 1.589856
H 2.563606 -1.714829 -1.300039
H 1.620126 -2.919683 -0.339239
H -6.397249 1.694318 0.929554
H -3.086185 -0.748861 -0.447896
H 3.098231 0.728958 0.372910
H 6.400017 -2.081104 0.579010
H -7.855657 0.762678 -0.889790
H -4.527074 -1.649246 -2.312152
H 4.715760 2.584433 -0.180143
H 8.021241 -0.228946 0.095652
H -6.918075 -0.901117 -2.527090
H 7.182359 2.109244 -0.304115


