%chk=000270504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270504

0 1
O 2.571498 -1.084841 1.501733
O 2.508440 -0.477584 -1.925001
O 4.568800 2.727049 1.125811
O 2.902963 1.833247 0.074684
N 1.973948 -1.140414 0.215881
N 4.046230 1.823128 0.496051
C 0.587892 -0.709390 0.264844
C -2.137057 -0.077188 0.335842
C 4.326033 -0.530373 -0.362224
C -0.162293 -0.740589 -0.923118
C -0.010266 -0.347863 1.483840
C 2.880328 -0.619570 -0.784764
C -1.520122 -0.425436 -0.877724
C -1.367281 -0.033667 1.512545
C 4.877088 0.622209 0.219191
C -3.566953 0.260732 0.394807
C 5.149082 -1.635961 -0.606383
C -5.946969 -0.068692 -0.213194
C -4.515961 -0.406557 -0.277223
C 6.238462 0.670404 0.558613
C 6.506380 -1.588226 -0.270639
C 7.049918 -0.438129 0.311258
C -6.380247 1.266904 -0.255913
C -6.896589 -1.101801 -0.120501
C -7.744793 1.563146 -0.201393
C -8.258084 -0.798160 -0.060835
C -8.685382 0.533601 -0.101665
H 0.314051 -0.992203 -1.875002
H 0.588574 -0.300118 2.394176
H -2.103315 -0.438882 -1.799032
H -1.833808 0.247799 2.456532
H -3.815661 1.101696 1.048898
H 4.730748 -2.533784 -1.067305
H -4.272788 -1.265500 -0.908837
H 6.650398 1.578358 1.016048
H 7.143220 -2.453350 -0.466896
H 8.109097 -0.403817 0.571775
H -5.652086 2.071835 -0.340728
H -6.569247 -2.139285 -0.087999
H 2.578769 -2.056314 1.795283
H -8.075183 2.600099 -0.237286
H -8.989572 -1.600931 0.016513
H -9.747062 0.766820 -0.057464


%chk=000270504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270504

0 1
O 2.700499 0.081245 1.664939
O 2.492313 -1.136853 -1.710237
O 5.180761 2.762517 0.588001
O 3.383403 1.933105 -0.542592
N 2.042273 -0.434744 0.474328
N 4.533202 1.798658 0.025700
C 0.619092 -0.264146 0.444927
C -2.229920 0.032430 0.476107
C 4.393672 -0.699090 -0.281179
C -0.172772 -0.837983 -0.591470
C -0.012277 0.460970 1.487947
C 2.908088 -0.724754 -0.589443
C -1.567681 -0.682094 -0.565301
C -1.411048 0.599170 1.494160
C 5.166018 0.455369 0.003269
C -3.685735 0.214233 0.547366
C 5.076889 -1.936277 -0.371186
C -6.076382 -0.084882 -0.265496
C -4.618094 -0.268103 -0.335155
C 6.556607 0.391578 0.230782
C 6.469277 -2.019367 -0.148138
C 7.210272 -0.854845 0.159229
C -6.729713 0.651632 0.767763
C -6.889198 -0.669555 -1.280681
C -8.130670 0.792972 0.780381
C -8.292411 -0.528512 -1.268688
C -8.922471 0.204404 -0.236660
H 0.311559 -1.375075 -1.407640
H 0.595074 0.934290 2.262466
H -2.149577 -1.129311 -1.378183
H -1.883771 1.169691 2.302989
H -4.032234 0.802541 1.409098
H 4.503777 -2.833156 -0.626735
H -4.271371 -0.857050 -1.196565
H 7.097921 1.315988 0.448901
H 6.972922 -2.988753 -0.220869
H 8.290030 -0.913809 0.327999
H -6.140245 1.118073 1.564832
H -6.407039 -1.238757 -2.085599
H 2.687310 -0.676542 2.315417
H -8.611569 1.363624 1.583127
H -8.893486 -0.987699 -2.061504
H -10.012094 0.317267 -0.223208


