%chk=000269598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269598

0 1
O 0.008860 1.723301 -2.042990
O -2.495408 3.145041 1.555296
O -4.696609 -3.555860 1.182944
O -3.684633 -4.213698 -0.611795
O 4.074346 -3.787704 0.162726
O 5.556810 -2.796609 1.389287
N -1.286702 2.471838 -0.264463
N 1.124446 2.593636 -0.221915
N -4.040103 -3.350818 0.174945
N 4.601614 -2.793490 0.630377
C -2.543309 2.099471 -0.982309
C 2.434012 2.338239 -0.885419
C -0.069265 2.212386 -0.930112
C -2.920281 0.669684 -0.672075
C 2.998343 0.997917 -0.474939
C -1.388099 2.997603 1.088395
C 1.078988 3.084419 1.088425
C -0.105781 3.289077 1.710967
C -3.662035 0.381546 0.483887
C -2.525996 -0.361151 -1.538876
C 2.413159 -0.177843 -0.969915
C 4.105514 0.932542 0.384016
C -4.031111 -0.932627 0.766669
C -2.891013 -1.678780 -1.266352
C 2.931228 -1.421389 -0.610555
C 4.632934 -0.306878 0.747966
C -3.645881 -1.954415 -0.115466
C 4.040851 -1.475690 0.247084
H -2.399923 2.253240 -2.079472
H -3.350745 2.803923 -0.656483
H 3.132236 3.174880 -0.656308
H 2.278908 2.360638 -1.999190
H 2.043653 3.298334 1.567969
H -0.164097 3.685494 2.727665
H -3.938956 1.191898 1.168118
H -1.924446 -0.130590 -2.422364
H 1.548237 -0.114986 -1.640979
H 4.564825 1.843117 0.767741
H -4.613359 -1.175299 1.662733
H -2.597948 -2.496055 -1.934521
H 2.486518 -2.349998 -0.988500
H 5.499015 -0.378046 1.416387


%chk=000269598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269598

0 1
O -0.147973 1.685304 -2.080325
O -2.462050 3.107389 1.755495
O -5.211614 -3.553801 0.867028
O -4.219442 -4.144234 -1.099667
O 4.592797 -3.696675 0.832387
O 6.424257 -2.414187 1.286913
N -1.299674 2.424058 -0.169675
N 1.087582 2.415460 -0.222638
N -4.514199 -3.281349 -0.184948
N 5.211150 -2.565256 0.872112
C -2.603214 2.171086 -0.857631
C 2.359045 2.163479 -0.955903
C -0.130981 2.144675 -0.900618
C -3.093935 0.738442 -0.676407
C 3.101003 0.927924 -0.461470
C -1.347406 2.912410 1.188844
C 1.107853 2.883100 1.086958
C -0.039735 3.137845 1.792718
C -3.862822 0.386808 0.464650
C -2.797173 -0.248895 -1.652122
C 2.466836 -0.342580 -0.484547
C 4.435895 1.031333 0.002382
C -4.330737 -0.930551 0.634523
C -3.258488 -1.570932 -1.498544
C 3.150070 -1.492365 -0.048348
C 5.138223 -0.109684 0.440815
C -4.020361 -1.890568 -0.353538
C 4.479591 -1.355985 0.409921
H -2.450849 2.397411 -1.924528
H -3.319119 2.883021 -0.416356
H 2.994899 3.062230 -0.869738
H 2.072068 2.038402 -2.014891
H 2.101378 3.028598 1.519887
H -0.009640 3.505221 2.818476
H -4.082234 1.152175 1.216530
H -2.195639 0.026733 -2.524420
H 1.440619 -0.429206 -0.857778
H 4.933891 2.007863 0.016900
H -4.926365 -1.225085 1.502369
H -3.046962 -2.347679 -2.237971
H 2.683940 -2.481060 -0.060332
H 6.168312 -0.054576 0.802087


