%chk=000257361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257361

0 1
O -0.061226 -1.676150 -2.044309
O 0.894402 -0.818750 2.285358
N 1.468689 -1.978184 -0.374920
N 2.370498 0.618755 1.314286
C 2.516725 -1.164810 -1.061600
C 3.735275 -0.935772 -0.142182
C 3.436638 -0.407340 1.270346
C 2.955566 -1.866929 -2.352187
C 0.203181 -2.124521 -0.937111
C -0.803076 -2.894866 -0.096147
C 1.091120 0.268012 1.753900
C 0.008775 1.317954 1.608819
C -1.879490 -1.970391 0.403273
C 0.084829 2.094293 0.326146
C -1.966799 -1.654684 1.766240
C -2.805997 -1.427033 -0.501094
C 0.509692 3.431211 0.332852
C -0.262451 1.478655 -0.886186
C -2.996078 -0.826673 2.224430
C -3.826578 -0.594628 -0.037780
C -3.928675 -0.299286 1.326342
C 0.586179 4.144809 -0.866912
C -0.178046 2.195966 -2.081581
C 0.246381 3.529161 -2.075223
H 2.057518 -0.172031 -1.330989
H 4.417637 -0.234638 -0.664806
H 4.309946 -1.880049 -0.043095
H 3.149539 -1.251014 1.946811
H 4.362355 0.037039 1.703240
H 3.343817 -2.873571 -2.167912
H 2.094201 -1.974979 -3.033995
H 3.721905 -1.296712 -2.884127
H 1.637527 -2.239889 0.598357
H 2.519332 1.452613 0.751237
H -1.252491 -3.688464 -0.735848
H -0.324721 -3.437371 0.744718
H -0.983295 0.801223 1.679946
H 0.033862 1.985604 2.497018
H -1.217184 -2.030837 2.466242
H -2.712052 -1.646788 -1.566254
H 0.772128 3.919131 1.268864
H -0.604251 0.439333 -0.905842
H -3.069217 -0.594667 3.285542
H -4.544052 -0.174657 -0.740742
H -4.730834 0.341321 1.685831
H 0.910044 5.184278 -0.858274
H -0.445322 1.708809 -3.020238
H 0.307874 4.085816 -3.008042


%chk=000257361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257361

0 1
O -0.236192 -1.595870 -1.800440
O 1.053087 -0.674874 2.414521
N 1.517906 -2.083443 -0.356744
N 2.426508 0.620380 1.052324
C 2.516702 -1.358954 -1.178317
C 3.778576 -1.005167 -0.353071
C 3.525393 -0.354607 1.036990
C 2.889745 -2.171874 -2.438989
C 0.185901 -2.124915 -0.722073
C -0.739352 -2.885732 0.249991
C 1.240991 0.376571 1.718440
C 0.154847 1.463774 1.589977
C -2.036297 -2.145095 0.547398
C 0.283975 2.381273 0.383141
C -2.230590 -1.516645 1.804174
C -3.063914 -2.064913 -0.427273
C 0.769445 3.707758 0.520832
C -0.068053 1.912939 -0.913055
C -3.436631 -0.833054 2.086040
C -4.266877 -1.378911 -0.147110
C -4.459704 -0.763702 1.112302
C 0.902111 4.552228 -0.606664
C 0.063903 2.755808 -2.038598
C 0.549766 4.077271 -1.890694
H 2.026188 -0.423254 -1.513584
H 4.389349 -0.327812 -0.980906
H 4.391680 -1.915572 -0.193442
H 3.257632 -1.117074 1.789717
H 4.459375 0.127711 1.383925
H 3.364919 -3.130759 -2.161396
H 1.983440 -2.381101 -3.030637
H 3.594588 -1.602460 -3.073156
H 1.760992 -2.359814 0.597664
H 2.486789 1.463724 0.475630
H -0.967481 -3.854960 -0.236047
H -0.203535 -3.104794 1.190386
H -0.806809 0.921123 1.574051
H 0.172651 2.046908 2.530841
H -1.428349 -1.550636 2.551269
H -2.909160 -2.527207 -1.408037
H 1.033044 4.085135 1.517115
H -0.448049 0.891890 -1.045488
H -3.576258 -0.358403 3.064377
H -5.052930 -1.324952 -0.909148
H -5.395594 -0.236810 1.331220
H 1.271431 5.576452 -0.481371
H -0.217760 2.380197 -3.028465
H 0.646400 4.730520 -2.765220


