%chk=000250362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250362

0 1
S 1.826009 -3.739879 0.014216
N 2.088795 0.936028 -0.030315
N -2.564426 0.413412 0.010592
N -0.218530 0.645416 -0.010190
N -1.340839 -1.582816 0.011417
N 2.281749 -2.095385 -0.002934
N 0.134512 -3.500330 0.020589
C 3.518771 0.516069 -0.043495
C 1.931805 2.420902 -0.017190
C 4.326243 1.821006 -0.142518
C 3.353213 2.978918 0.151282
C -3.855009 -0.333115 0.023639
C -2.746781 1.890772 -0.003882
C -4.938968 0.748465 0.159198
C -4.264920 2.103341 -0.137765
C 1.018189 0.091826 -0.015232
C -1.346896 -0.210575 0.003742
C 1.184432 -1.372129 -0.004810
C -0.106635 -2.190170 0.009894
H 3.713639 -0.163607 -0.902972
H 3.754283 -0.054713 0.882713
H 1.251359 2.724150 0.808851
H 1.454826 2.750558 -0.966353
H 4.766550 1.930213 -1.150461
H 5.170995 1.820063 0.567675
H 3.503406 3.360395 1.177783
H 3.530891 3.830969 -0.526836
H -3.864246 -1.062875 0.863549
H -3.954065 -0.924144 -0.913695
H -2.178144 2.339034 -0.846603
H -2.341009 2.326792 0.934579
H -5.367001 0.743854 1.177865
H -5.777087 0.560461 -0.532894
H -4.520739 2.446145 -1.156453
H -4.620675 2.884249 0.554814


%chk=000250362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250362

0 1
S 1.822594 -3.808454 0.026269
N 2.092391 0.925818 0.009193
N -2.549117 0.429364 -0.002052
N -0.221986 0.637968 0.002010
N -1.349143 -1.570404 -0.010288
N 2.309492 -2.067981 0.027686
N 0.062010 -3.517623 0.003225
C 3.530036 0.535515 -0.034866
C 1.909658 2.402478 0.059352
C 4.251048 1.873573 -0.318849
C 3.332830 2.932767 0.342708
C -3.834209 -0.311637 0.012691
C -2.726894 1.900310 -0.024016
C -4.878452 0.799158 0.277726
C -4.232249 2.065245 -0.345651
C 1.013971 0.087552 0.002799
C -1.336433 -0.205609 -0.000662
C 1.153237 -1.376874 0.007053
C -0.112455 -2.157113 -0.000698
H 3.704401 -0.233084 -0.803938
H 3.835852 0.096736 0.934151
H 1.166764 2.662656 0.831970
H 1.510662 2.761585 -0.909754
H 4.309180 2.048118 -1.409135
H 5.277604 1.879078 0.083420
H 3.514296 2.967227 1.432740
H 3.484780 3.947271 -0.061729
H -3.811024 -1.100496 0.782902
H -3.992034 -0.815121 -0.961211
H -2.060599 2.360285 -0.772594
H -2.467480 2.334994 0.962225
H -5.015049 0.938904 1.366169
H -5.861000 0.557621 -0.160890
H -4.385550 2.068760 -1.440744
H -4.643436 3.004712 0.060586


