%chk=000238374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238374

0 1
O -0.160692 0.794419 1.683801
N 2.769283 -0.524770 -1.033036
C -0.027904 1.041711 0.262243
C 1.005324 2.195815 0.067577
C -1.455822 1.449244 -0.160027
C 0.415555 -0.270139 -0.427354
C 0.594887 3.438771 0.863478
C 1.208432 2.532426 -1.410477
C -2.436031 0.313632 -0.249621
C 1.805958 -0.717400 -0.086463
C -3.065086 0.011253 -1.465741
C -2.745658 -0.437616 0.896970
C 2.092284 -1.331596 1.151913
C -3.997430 -1.029574 -1.531299
C -3.675552 -1.474787 0.825441
C 3.398574 -1.743097 1.416769
C -4.305232 -1.773043 -0.389122
C 4.035325 -0.933896 -0.759033
C 4.393158 -1.542550 0.453937
H 1.984246 1.834666 0.476332
H -1.835107 2.182373 0.589942
H -1.400521 2.004245 -1.119171
H -0.304212 -1.075909 -0.153607
H 0.307268 -0.149183 -1.529075
H -0.228131 3.980520 0.385392
H 1.431005 4.139331 0.958731
H 0.264244 3.169917 1.875955
H 0.268898 2.791307 -1.909972
H 1.658401 1.688658 -1.954384
H 1.887251 3.384679 -1.528804
H 0.706969 0.629848 2.097739
H -2.833030 0.583206 -2.360905
H -2.239643 -0.203044 1.837373
H 1.296157 -1.494879 1.876219
H -4.484207 -1.259340 -2.477371
H -3.913320 -2.053075 1.716441
H 3.641791 -2.220848 2.366018
H -5.031339 -2.580576 -0.442190
H 4.774459 -0.760907 -1.550186
H 5.417649 -1.854094 0.635667


%chk=000238374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238374

0 1
O -0.050187 0.745645 1.655058
N 2.938998 -0.304074 -0.909629
C 0.015045 1.077848 0.201727
C 0.988063 2.298091 0.023379
C -1.450272 1.440595 -0.179324
C 0.491644 -0.190498 -0.588416
C 0.525405 3.535721 0.831166
C 1.260916 2.676303 -1.453374
C -2.451394 0.293164 -0.187168
C 1.851326 -0.714955 -0.175622
C -3.019585 -0.158140 -1.406696
C -2.859123 -0.335234 1.020443
C 1.990708 -1.597844 0.931220
C -3.967656 -1.207238 -1.426997
C -3.805698 -1.383796 1.003894
C 3.274869 -2.061245 1.294363
C -4.364767 -1.824919 -0.219257
C 4.171749 -0.763497 -0.548196
C 4.393536 -1.636277 0.541980
H 1.960937 1.966300 0.448782
H -1.777699 2.210168 0.543442
H -1.434533 1.914874 -1.177770
H -0.267637 -0.974736 -0.423338
H 0.510911 0.043679 -1.666245
H -0.336351 4.034376 0.349565
H 1.343207 4.277475 0.889350
H 0.233460 3.255445 1.858501
H 0.328292 2.934472 -1.990664
H 1.775155 1.860622 -1.988657
H 1.915610 3.566806 -1.491835
H 0.869157 0.529973 1.962034
H -2.719422 0.319183 -2.348498
H -2.417061 0.000786 1.963545
H 1.096808 -1.928637 1.470219
H -4.396143 -1.538041 -2.380217
H -4.111166 -1.855292 1.945419
H 3.398763 -2.745741 2.140669
H -5.102181 -2.635722 -0.230158
H 5.008353 -0.415522 -1.165821
H 5.406164 -1.974421 0.783225


