%chk=000195297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195297

0 1
O 3.094265 2.462671 1.861492
O -3.979331 -2.621741 1.291796
O -8.252580 -1.205692 0.523992
O 5.915786 -2.243363 1.040933
O 7.306792 -1.176651 -1.313764
N -0.987774 1.170552 -0.809242
N 1.662046 1.312993 0.529513
N -6.550253 0.183661 -0.200518
N -6.097815 -1.911751 0.909959
C -0.077208 -0.009612 -0.649813
C -0.479830 2.394954 -0.106624
C 1.397204 0.429238 -0.635980
C 0.495605 2.081908 1.040212
C -2.381175 0.892098 -0.551388
C 2.945030 1.621634 0.989255
C -2.856128 -0.263259 0.066549
C -3.318518 1.831987 -1.064652
C -4.240252 -0.501109 0.175967
C -5.164577 0.438011 -0.327355
C -4.679096 1.616900 -0.951232
C 4.076001 0.846611 0.380810
C -4.679489 -1.746179 0.828741
C 4.451034 -0.378093 0.944097
C -7.059385 -0.993897 0.419022
C 4.766752 1.380389 -0.714267
C -7.549252 1.150141 -0.723172
C 5.539478 -1.069545 0.401029
C 5.862415 0.699267 -1.248789
C 6.258955 -0.521313 -0.686880
C 5.805106 -3.430554 0.206496
C 8.447015 -1.450316 -0.450370
H -0.259913 -0.674113 -1.526147
H -0.294654 -0.606499 0.266674
H -1.314852 3.016900 0.278825
H 0.033745 3.001808 -0.889975
H 2.052706 -0.469621 -0.578466
H 1.649842 0.963598 -1.581535
H 0.854803 3.023868 1.523298
H -0.002721 1.487339 1.838992
H -2.173263 -1.012754 0.483111
H -2.949405 2.729342 -1.568218
H -5.372947 2.354121 -1.352330
H 3.922092 -0.796719 1.801827
H 4.463385 2.337931 -1.139078
H -6.463425 -2.765578 1.358916
H -7.449266 2.126574 -0.220152
H -8.577844 0.776264 -0.531306
H -7.437729 1.277583 -1.813103
H 6.422479 1.103280 -2.092121
H 4.749316 -3.637832 0.013805
H 6.250895 -4.201640 0.844712
H 6.365054 -3.304340 -0.726759
H 8.946769 -0.506316 -0.215075
H 9.071252 -2.084913 -1.088405
H 8.134262 -1.972121 0.461490


%chk=000195297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195297

0 1
O 3.493331 3.302665 0.644047
O -3.807390 -3.099625 0.605838
O -8.239751 -1.723373 0.230995
O 5.211049 -2.359479 0.759456
O 7.517435 -1.481337 -0.830164
N -1.016975 1.218703 -0.180751
N 1.830706 1.787577 0.064935
N -6.574645 -0.079613 -0.053300
N -5.997743 -2.336708 0.406228
C -0.005446 0.141846 -0.215344
C -0.519178 2.607584 -0.224589
C 1.323399 0.677511 -0.772486
C 0.807159 2.754434 0.543005
C -2.380869 0.908352 -0.148157
C 3.171622 2.147271 0.211572
C -2.828025 -0.416881 0.107461
C -3.390751 1.899462 -0.379554
C -4.201046 -0.737036 0.130530
C -5.197568 0.259660 -0.088071
C -4.758721 1.585544 -0.342972
C 4.238506 1.133262 -0.116064
C -4.601549 -2.136244 0.398909
C 4.212752 -0.183365 0.408140
C -7.020866 -1.389092 0.194518
C 5.359711 1.553028 -0.875310
C -7.603983 0.951861 -0.278356
C 5.282290 -1.072777 0.177128
C 6.432038 0.669055 -1.107983
C 6.415508 -0.637577 -0.571434
C 5.212781 -3.482594 -0.208750
C 8.270631 -1.910663 0.374465
H -0.356847 -0.673253 -0.878026
H 0.157762 -0.296142 0.793261
H -1.250153 3.274053 0.266693
H -0.397783 2.967103 -1.269798
H 2.062395 -0.134735 -0.811035
H 1.165313 1.027701 -1.814472
H 1.210439 3.776050 0.426073
H 0.631844 2.593034 1.624747
H -2.136259 -1.237994 0.314893
H -3.108092 2.929127 -0.617357
H -5.481820 2.383675 -0.530164
H 3.384083 -0.535436 1.032482
H 5.394829 2.580716 -1.249498
H -6.327334 -3.290093 0.585944
H -7.528384 1.750281 0.481369
H -8.585928 0.463636 -0.195370
H -7.501522 1.393372 -1.285873
H 7.309986 0.977860 -1.684010
H 4.300564 -3.445194 -0.834108
H 5.208184 -4.396004 0.404756
H 6.109132 -3.450771 -0.853625
H 8.740105 -1.032686 0.856178
H 9.047355 -2.595700 0.002863
H 7.609123 -2.423951 1.094930


