%chk=000207834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207834

0 1
O -2.914382 0.435817 -2.340893
O 0.578295 1.535097 2.848079
O 4.712622 2.200171 -0.772237
O 2.893095 -2.335900 -0.288344
N -3.340277 1.112254 -0.207803
N -0.482115 1.772753 0.837307
N -0.713737 -4.777698 0.674192
C -1.763617 2.225834 1.432257
C -2.176956 3.593946 0.854893
C -2.864907 1.154825 1.195373
C -2.692530 3.501826 -0.584541
C -3.791898 2.437075 -0.721232
C -2.826285 0.187124 -1.147506
C 0.605963 1.424145 1.635264
C -2.281130 -1.097788 -0.625527
C 1.783066 0.894330 0.852715
C -3.081872 -1.977117 0.118190
C -0.962388 -1.455412 -0.949056
C 1.860618 -0.480528 0.631136
C 2.746826 1.774641 0.369161
C -2.566051 -3.185778 0.574539
C -0.425261 -2.654123 -0.494254
C -1.227589 -3.530603 0.272424
C 3.830048 1.236396 -0.358173
C 2.948814 -0.973059 -0.113762
C 3.951315 -0.135440 -0.621900
C 5.878776 1.787919 -1.527403
C 3.953033 -2.973327 -1.043547
H -1.608327 2.329021 2.545378
H -2.959660 4.030511 1.506421
H -1.320203 4.295057 0.905107
H -3.738947 1.387081 1.845924
H -2.491763 0.155593 1.512807
H -1.859923 3.269868 -1.277745
H -3.084002 4.484337 -0.910637
H -4.700079 2.730344 -0.151985
H -4.092787 2.326344 -1.790961
H -0.453539 1.680168 -0.174008
H -4.117091 -1.709576 0.339732
H -0.353266 -0.784946 -1.559317
H 1.114542 -1.167267 1.026715
H 2.695880 2.845526 0.550093
H -3.193418 -3.865822 1.143179
H 0.606218 -2.914720 -0.735331
H 4.782764 -0.528654 -1.188869
H -1.180009 -5.252015 1.431795
H 0.289750 -4.879084 0.699038
H 6.505031 1.123370 -0.925596
H 5.575725 1.327055 -2.471594
H 6.380649 2.749558 -1.701897
H 4.913727 -2.832852 -0.539797
H 3.645948 -4.026999 -1.018263
H 3.967602 -2.594578 -2.069739


%chk=000207834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207834

0 1
O -2.667221 1.151518 -2.327545
O 1.058947 1.747388 3.058741
O 3.117635 0.212853 -2.442571
O 5.611296 -0.013138 1.851769
N -3.023135 1.354099 -0.031701
N -0.300099 1.251887 1.248341
N -2.862521 -5.166319 -1.109819
C -1.529933 1.678451 1.944041
C -1.746873 3.212379 1.843345
C -2.742286 0.913601 1.353176
C -2.071590 3.634375 0.392599
C -3.255439 2.814213 -0.169860
C -2.818244 0.588110 -1.190783
C 0.937944 1.334084 1.859321
C -2.813925 -0.908478 -1.076173
C 2.131282 0.889979 1.044226
C -3.717867 -1.635288 -0.255004
C -1.953156 -1.643620 -1.934646
C 3.325518 0.636779 1.754211
C 2.093070 0.741639 -0.364011
C -3.746419 -3.040401 -0.268467
C -1.954999 -3.046869 -1.943185
C -2.851924 -3.773816 -1.103660
C 3.256600 0.325653 -1.049178
C 4.478371 0.219930 1.056138
C 4.461533 0.055422 -0.353139
C 4.290954 -0.191066 -3.217893
C 6.841758 -0.438651 1.184262
H -1.410160 1.403928 3.008954
H -2.587913 3.488371 2.512604
H -0.847235 3.728156 2.221991
H -3.625999 1.114636 1.992269
H -2.539462 -0.167411 1.367603
H -1.185986 3.483687 -0.253227
H -2.323125 4.711005 0.352696
H -4.182520 3.066196 0.386839
H -3.409253 3.022815 -1.240206
H -0.385112 0.876327 0.302454
H -4.438111 -1.096802 0.371946
H -1.292431 -1.089329 -2.609984
H 3.349779 0.773587 2.838087
H 1.210277 0.972147 -0.968888
H -4.466843 -3.578259 0.359857
H -1.270575 -3.591203 -2.605246
H 5.357341 -0.264174 -0.890352
H -3.503859 -5.686626 -0.518389
H -2.234915 -5.688906 -1.713851
H 5.119016 0.536484 -3.107136
H 4.641062 -1.200908 -2.925809
H 3.951163 -0.206512 -4.263788
H 7.197959 0.325925 0.465751
H 7.578924 -0.557175 1.991765
H 6.704998 -1.405971 0.661328


