%chk=000191302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191302

0 1
O -0.418592 -0.794963 -2.546771
O -4.694586 0.025256 -0.832778
N 0.467269 -1.882037 0.665530
N 0.802829 -1.583870 -0.703195
N -2.889463 -1.350678 -0.753145
N -0.032111 2.338946 -0.878132
C -1.514522 -1.537636 -0.462233
C -0.964805 -2.019211 0.703067
C -0.425148 -1.206270 -1.413030
C -2.983952 0.709109 0.704563
C -1.706833 1.355684 0.322332
C -3.583249 -0.178758 -0.372191
C -0.643133 1.699157 1.237472
C 2.048943 -0.888451 -0.940221
C -1.644293 -2.515990 1.914714
C 1.283483 -2.990317 1.232473
C 0.398755 2.307645 0.456251
C -3.385634 -2.113976 -1.930549
C -1.312328 1.755726 -0.947636
C -0.461766 1.560454 2.626324
C 2.537862 -0.909946 -2.260756
C 2.765293 -0.243225 0.080864
C 1.598641 2.765448 1.040295
C 0.717263 2.010610 3.194429
C 1.737595 2.607679 2.406736
C 3.761885 -0.302693 -2.541190
C 3.992612 0.351362 -0.221146
C 4.495776 0.320227 -1.525125
H -3.738294 1.499653 0.945094
H -2.859364 0.124439 1.641475
H -2.742617 -2.475804 1.799437
H -1.384224 -1.916433 2.802735
H -1.388535 -3.563873 2.135926
H 2.358263 -2.780458 1.074188
H 1.068242 -3.975797 0.788500
H 1.106760 -3.029447 2.320402
H -3.300393 -3.193141 -1.733122
H -2.817024 -1.867797 -2.844972
H -4.450720 -1.869696 -2.109903
H -1.836424 1.657015 -1.885587
H 0.504974 2.650043 -1.664537
H -1.244158 1.111767 3.232263
H 1.953491 -1.382112 -3.053400
H 2.358660 -0.178961 1.091442
H 2.374171 3.219597 0.432733
H 0.877538 1.917529 4.266035
H 2.644560 2.949004 2.903528
H 4.147187 -0.316325 -3.560527
H 4.555197 0.849170 0.567916
H 5.453522 0.783242 -1.751676


%chk=000191302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191302

0 1
O -0.396195 -0.643917 -2.606161
O -4.865365 -0.134849 -0.607925
N 0.442140 -1.944731 0.601572
N 0.804671 -1.499989 -0.710572
N -2.848269 -1.275254 -0.852395
N -0.261447 2.578827 -0.811207
C -1.481842 -1.486217 -0.529716
C -0.956382 -2.011558 0.644504
C -0.385723 -1.154287 -1.445793
C -3.023302 0.618696 0.812739
C -1.788324 1.389387 0.403069
C -3.651180 -0.280883 -0.268681
C -0.686517 1.759038 1.275330
C 2.108253 -0.967974 -0.962966
C -1.677783 -2.588701 1.825719
C 1.310237 -2.952953 1.240404
C 0.262171 2.501583 0.482160
C -3.385579 -2.050565 -1.997344
C -1.491608 1.910339 -0.856122
C -0.401435 1.532929 2.648774
C 2.648056 -1.086996 -2.267697
C 2.830940 -0.299165 0.057882
C 1.463646 3.011067 1.020923
C 0.798543 2.034469 3.191605
C 1.722004 2.766084 2.385590
C 3.923105 -0.547376 -2.540190
C 4.114361 0.214231 -0.224119
C 4.667491 0.091711 -1.520454
H -3.839358 1.302028 1.109826
H -2.787521 0.008939 1.706338
H -2.762515 -2.565684 1.633508
H -1.476010 -2.015266 2.750092
H -1.390979 -3.640195 2.013534
H 2.356570 -2.614414 1.202797
H 1.233227 -3.940578 0.743808
H 1.015296 -3.046665 2.297136
H -3.387267 -3.130542 -1.763375
H -2.762674 -1.868721 -2.890801
H -4.416866 -1.711110 -2.179463
H -2.043024 1.818878 -1.789263
H 0.216957 2.965085 -1.621838
H -1.110409 0.989569 3.285579
H 2.063270 -1.579951 -3.048205
H 2.371186 -0.146799 1.040547
H 2.175004 3.573627 0.405953
H 1.025556 1.874380 4.251886
H 2.642385 3.152588 2.838028
H 4.338684 -0.635149 -3.550023
H 4.670183 0.731260 0.565851
H 5.662244 0.496672 -1.735943


