%chk=000222047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222047

0 1
O -0.155669 1.084932 0.557957
O 0.052931 0.178976 -1.503081
N -3.837958 0.618268 0.301516
C 2.949409 1.023422 -0.757307
C 1.958239 0.179692 0.075784
C 2.621797 2.546115 -0.705347
C 2.242144 -1.329112 -0.026913
C 3.912763 3.251054 -0.223830
C 4.364530 0.929108 -0.221036
C -4.245761 0.528725 -1.141673
C -4.808274 -0.260016 1.037086
C -4.981300 -0.813273 -1.353856
C -5.337786 -1.326819 0.053183
C -2.418328 0.195475 0.511975
C 1.411257 -2.136918 0.978054
C 0.551995 0.441372 -0.434859
C 4.883073 2.131394 0.055635
C -1.546776 1.440276 0.299443
C 1.703942 -3.639386 0.862596
C 0.887227 -4.450645 1.865681
H 2.927867 0.668993 -1.815962
H 2.027040 0.500918 1.148878
H 2.312941 2.910358 -1.697422
H 1.784194 2.759829 -0.019321
H 2.039933 -1.680055 -1.060109
H 3.321147 -1.511417 0.148049
H 4.308911 3.938851 -0.991642
H 3.730777 3.859332 0.679396
H -3.384327 0.641866 -1.825559
H -4.926658 1.385664 -1.330367
H -5.632477 0.403567 1.377643
H -4.363106 -0.709020 1.942131
H 4.839456 -0.030795 -0.112449
H -5.880947 -0.678086 -1.974915
H -4.340095 -1.534738 -1.887174
H -6.424168 -1.468216 0.168138
H -4.873389 -2.308094 0.244010
H -2.086413 -0.621720 -0.165498
H -2.277091 -0.180151 1.547861
H 0.330986 -1.953466 0.815128
H 1.620411 -1.791258 2.009183
H 5.868178 2.349859 0.433004
H -1.633113 1.854333 -0.719097
H -1.727373 2.224346 1.055871
H 1.484181 -3.987482 -0.166213
H 2.783865 -3.827360 1.021692
H 1.103486 -5.521409 1.777655
H 1.106307 -4.155973 2.898342
H -0.189678 -4.320418 1.709238


%chk=000222047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222047

0 1
O -0.202739 1.196248 0.729516
O 0.053412 0.249451 -1.388555
N -3.915646 0.701242 0.210806
C 2.942019 1.096181 -0.614551
C 1.944157 0.210519 0.205887
C 2.670493 2.634037 -0.477768
C 2.220470 -1.307840 0.031478
C 4.070993 3.324142 -0.460257
C 4.398231 0.975339 -0.173299
C -4.124558 0.339567 -1.227453
C -5.021132 -0.006304 0.917800
C -4.738174 -1.111712 -1.253440
C -5.143281 -1.400954 0.227614
C -2.553923 0.373728 0.705234
C 1.302379 -2.211453 0.885013
C 0.526760 0.525411 -0.258848
C 5.010862 2.184764 -0.091112
C -1.613038 1.549941 0.383384
C 1.631357 -3.713402 0.727638
C 0.715817 -4.621377 1.576603
H 2.844424 0.780907 -1.676422
H 2.022654 0.487631 1.273775
H 2.020018 3.014925 -1.284113
H 2.152955 2.823325 0.481783
H 2.104949 -1.567474 -1.039738
H 3.274345 -1.508407 0.304378
H 4.338524 3.737944 -1.454618
H 4.117598 4.167298 0.254705
H -3.172356 0.405640 -1.780989
H -4.832682 1.059722 -1.677438
H -5.955887 0.568955 0.768422
H -4.824375 -0.058224 2.002053
H 4.891114 0.013147 0.001021
H -5.614381 -1.148923 -1.924813
H -4.009072 -1.853496 -1.622590
H -6.158663 -1.825947 0.314898
H -4.438785 -2.115472 0.691712
H -2.132144 -0.557447 0.259432
H -2.594633 0.230372 1.800000
H 0.242891 -2.043662 0.600539
H 1.389476 -1.925918 1.954054
H 6.064375 2.340260 0.166629
H -1.665596 1.809788 -0.687928
H -1.846085 2.428659 1.002547
H 1.543852 -3.993729 -0.341814
H 2.690421 -3.886554 1.009147
H 0.967932 -5.689521 1.443623
H 0.808614 -4.383279 2.653189
H -0.345643 -4.487149 1.294366


