%chk=000276840.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276840

0 1
O -2.344322 4.639711 0.165334
O 2.349654 4.639560 -0.090153
O -3.406259 2.910740 0.900771
O 3.409270 2.921179 -0.853263
N -2.413106 3.455076 0.449789
N 2.417098 3.459391 -0.392876
C 1.214176 1.230939 -0.192153
C -1.211580 1.228873 0.218182
C 0.001082 0.555803 0.008339
C -1.195011 2.648830 0.235175
C 1.198488 2.651008 -0.189428
C 0.001978 3.346024 0.027743
C 2.447594 0.471292 -0.404249
C -2.445453 0.467104 0.419783
C 4.068879 -1.315467 0.163386
C -4.068085 -1.310297 -0.172622
C 2.819328 -0.569778 0.358070
C -2.818000 -0.562875 -0.357049
C 5.219527 -0.695993 -0.356457
C 4.123300 -2.676018 0.516132
C -5.218563 -0.696859 0.354695
C -4.123190 -2.666109 -0.543016
C 6.444996 -2.786080 -0.185574
C -6.445294 -2.783755 0.156117
C 6.395829 -1.424212 -0.527781
C 5.298105 -3.405667 0.337685
C -6.395414 -1.426477 0.516001
C -5.298553 -3.397251 -0.374590
C 7.709450 -3.556468 -0.376782
C -7.710419 -3.555669 0.336440
H 0.000719 -0.537875 0.000737
H 0.002336 4.452921 0.035502
H 3.077005 0.830106 -1.233687
H -3.074528 0.814638 1.254260
H 2.196837 -0.915430 1.191214
H -2.195921 -0.897230 -1.195084
H 5.196349 0.364311 -0.617838
H 3.242137 -3.168541 0.925638
H -5.194797 0.359945 0.629836
H -3.242146 -3.153844 -0.958453
H 7.281301 -0.932780 -0.928367
H 5.324819 -4.459602 0.608240
H -7.280757 -0.939716 0.922531
H -5.325804 -4.447575 -0.658783
H 7.618367 -4.609484 -0.080333
H 8.028788 -3.545339 -1.429422
H 8.531677 -3.126392 0.214346
H -8.530418 -3.120500 -0.254084
H -7.618311 -4.606160 0.031476
H -8.033657 -3.553409 1.387927


%chk=000276840-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276840

0 1
O -2.304297 5.097020 -0.016659
O 2.310650 5.093782 0.094123
O -3.490567 3.359409 0.842703
O 3.494605 3.365712 -0.787524
N -2.404366 3.858596 0.341601
N 2.409144 3.859891 -0.279876
C 1.256899 1.553848 -0.138260
C -1.254648 1.553113 0.170005
C 0.000810 0.907058 0.011700
C -1.209531 2.995179 0.188917
C 1.213278 2.996037 -0.138190
C 0.002247 3.687211 0.029912
C 2.490212 0.767192 -0.260003
C -2.488643 0.765845 0.280719
C 3.834315 -1.365277 -0.006272
C -3.833759 -1.362310 -0.002825
C 2.622979 -0.549597 0.116884
C -2.621972 -0.545609 -0.114143
C 5.056739 -0.882482 -0.565958
C 3.803515 -2.713700 0.453030
C -5.056443 -0.886530 0.562274
C -3.803143 -2.704469 -0.480150
C 6.148709 -3.064488 -0.200313
C -6.149044 -3.062943 0.166439
C 6.182634 -1.716021 -0.658046
C 4.936425 -3.545704 0.356474
C -6.182770 -1.720742 0.642246
C -4.936472 -3.537206 -0.395674
C 7.376534 -3.948138 -0.307140
C -7.377483 -3.947253 0.259964
H 0.000250 -0.185156 0.004560
H 0.002830 4.779374 0.037042
H 3.352556 1.301838 -0.660172
H -3.350816 1.295516 0.687767
H 1.771035 -1.067078 0.582413
H -1.770020 -1.057051 -0.586282
H 5.125669 0.149072 -0.927184
H 2.877674 -3.107963 0.890947
H -5.125247 0.140146 0.937180
H -2.877077 -3.093232 -0.922475
H 7.110512 -1.322069 -1.090442
H 4.883013 -4.579360 0.717623
H -7.110827 -1.332242 1.079162
H -4.883169 -4.566000 -0.770471
H 7.182024 -4.963356 0.077889
H 7.712330 -4.041665 -1.357095
H 8.223961 -3.525369 0.264961
H -8.222101 -3.519412 -0.312573
H -7.181349 -4.959138 -0.132936
H -7.718305 -4.049679 1.307434


