%chk=000198993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198993

0 1
O -4.809013 -0.822405 1.553329
O -5.918801 -1.096935 -0.526797
N -0.004976 0.980991 0.302488
N 2.602425 -0.193297 0.778964
N 3.871337 -1.416779 -0.839895
N 4.687225 0.722399 0.042678
C 2.247948 1.120192 1.415082
C 1.188523 1.856022 0.549497
C 0.401247 -0.282535 -0.396513
C 1.414240 -1.042358 0.480961
C -1.031251 1.729931 -0.498700
C 1.754164 0.872836 2.841835
C 3.722855 -0.280975 -0.044441
C -2.326769 0.954430 -0.557190
C -2.869834 0.439241 0.650487
C -2.979739 0.786117 -1.779181
C -4.067538 -0.225822 0.540792
C -4.734549 -0.391512 -0.710264
C -4.214365 0.102895 -1.883900
C 5.039374 -1.553476 -1.506139
C 5.836560 0.534220 -0.644468
C -5.997081 -1.386909 0.907088
C 6.068204 -0.600609 -1.436711
H 3.170206 1.765119 1.462610
H 0.843890 2.757943 1.100418
H 1.670186 2.210727 -0.387382
H 0.826844 -0.108738 -1.407923
H -0.509115 -0.908796 -0.532050
H 0.953067 -1.317147 1.458003
H 1.718410 -1.993051 -0.013679
H -0.677790 1.989340 -1.521570
H -1.229218 2.699567 0.019350
H 1.701676 1.811457 3.403550
H 0.748323 0.429718 2.854486
H 2.424506 0.195147 3.385075
H -2.344026 0.561120 1.596339
H -2.540809 1.187049 -2.691884
H -4.715782 -0.020903 -2.838832
H 5.137902 -2.459856 -2.117827
H 6.584712 1.332323 -0.552564
H -6.877209 -0.868043 1.308578
H -5.962909 -2.476856 1.033107
H 6.997648 -0.733479 -1.975105


%chk=000198993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198993

0 1
O -4.540803 -1.262898 1.683971
O -6.108369 -1.152615 -0.136745
N -0.083325 1.126797 -0.040252
N 2.555679 0.045161 0.185522
N 4.096458 -1.495799 -0.735519
N 4.856220 0.542776 0.404805
C 2.214101 1.273786 0.951105
C 1.075212 2.017498 0.213308
C 0.326562 -0.017016 -0.892187
C 1.428734 -0.831623 -0.194055
C -1.253974 1.858142 -0.580752
C 1.859442 0.945324 2.420203
C 3.865792 -0.312001 -0.053155
C -2.541719 1.041445 -0.530179
C -2.829883 0.260715 0.628973
C -3.467424 1.095034 -1.599878
C -4.042954 -0.425002 0.651982
C -4.964768 -0.360700 -0.415500
C -4.705738 0.393124 -1.560960
C 5.394976 -1.815839 -0.968211
C 6.137627 0.177075 0.144935
C -5.870732 -1.732359 1.213165
C 6.478987 -1.008739 -0.547594
H 3.118329 1.904772 0.937150
H 0.740397 2.867316 0.837032
H 1.484898 2.433499 -0.742913
H 0.698562 0.335421 -1.888429
H -0.549908 -0.665757 -1.066192
H 1.005817 -1.310927 0.711614
H 1.822273 -1.620036 -0.853139
H -1.084100 2.205772 -1.631918
H -1.374153 2.771608 0.036618
H 1.728720 1.880488 2.995310
H 0.919335 0.371199 2.487189
H 2.673485 0.366162 2.889698
H -2.105153 0.204411 1.445176
H -3.226662 1.691875 -2.487076
H -5.417439 0.434488 -2.389226
H 5.562758 -2.754682 -1.509514
H 6.910600 0.863053 0.511829
H -6.648122 -1.362848 1.904692
H -5.855914 -2.833071 1.132971
H 7.516872 -1.286725 -0.742150


