%chk=000196982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196982

0 1
O -5.667037 0.445387 1.010618
O -1.155094 -2.486752 0.649118
O -2.038256 -2.621737 -1.418107
O 6.019413 1.240713 0.405972
N -1.815475 1.804592 0.301415
N 1.269085 -1.457995 -0.325651
C -1.892248 0.326714 0.460317
C -1.067318 -0.472363 -0.634349
C -2.703111 0.989043 -1.889946
C -3.395044 -0.061071 0.301540
C -1.460685 0.084638 -2.030262
C -3.823177 0.222142 -1.157498
C -2.315635 2.228458 -1.050023
C 0.408932 -0.338362 -0.394031
C -0.517287 2.421335 0.683152
C -4.284205 0.714367 1.305357
C -1.494554 -1.945823 -0.579946
C 1.162511 0.826367 -0.265634
C 0.659264 2.219901 -0.289026
C 2.541883 0.441124 -0.083798
C -3.989778 0.351536 2.757640
C 2.582138 -0.996213 -0.101392
C 3.732253 1.161489 0.087217
C 3.781830 -1.711775 0.053303
C -1.551485 -3.861431 0.895397
C 4.909806 0.429797 0.240166
C 4.951196 -0.989662 0.226797
C 7.308940 0.606690 0.560362
H -1.510050 0.043033 1.469098
H -3.052872 1.306838 -2.895798
H -3.513511 -1.148627 0.514746
H -1.666071 -0.741278 -2.740649
H -0.618324 0.650661 -2.469950
H -4.768757 0.799365 -1.176775
H -4.039151 -0.726769 -1.682126
H -1.579810 2.851190 -1.597468
H -3.207021 2.868108 -0.866290
H -0.238085 2.041294 1.691517
H -0.712911 3.511665 0.804226
H -4.230198 1.816555 1.138539
H 1.474602 2.925507 -0.023334
H 0.358055 2.496970 -1.323035
H 0.970572 -2.410061 -0.203717
H -4.783917 0.733849 3.412934
H -3.918149 -0.726735 2.923819
H -3.048326 0.804318 3.092652
H -5.888254 -0.491456 1.153207
H 3.746565 2.246697 0.100902
H 3.789069 -2.798004 0.034954
H -0.976962 -4.123546 1.790085
H -1.295191 -4.493500 0.038400
H -2.629169 -3.887771 1.082877
H 5.894651 -1.511380 0.351047
H 7.559522 0.027025 -0.332450
H 7.327280 -0.006380 1.465701
H 7.973555 1.474822 0.662282


%chk=000196982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196982

0 1
O -5.761039 0.317339 1.081386
O -1.063349 -2.574916 0.653670
O -2.211135 -2.615644 -1.364647
O 6.119872 1.268017 0.452080
N -1.816300 1.766073 0.209916
N 1.306406 -1.433237 -0.360612
C -1.941821 0.321578 0.428612
C -1.066915 -0.514680 -0.649324
C -2.736890 0.964498 -1.931768
C -3.443908 -0.060240 0.280024
C -1.479772 0.060751 -2.060086
C -3.875709 0.207743 -1.202791
C -2.361240 2.217090 -1.102776
C 0.422056 -0.336155 -0.360968
C -0.613946 2.462160 0.703768
C -4.342565 0.702002 1.289824
C -1.495969 -1.982059 -0.553308
C 1.168052 0.841612 -0.182257
C 0.672550 2.267943 -0.143810
C 2.560118 0.447239 -0.052854
C -3.943270 0.499662 2.761268
C 2.615572 -0.986875 -0.153056
C 3.758928 1.174406 0.146090
C 3.826628 -1.695587 -0.045301
C -1.577316 -3.943685 0.908926
C 4.973212 0.464677 0.251611
C 5.014167 -0.960110 0.159194
C 7.407778 0.589270 0.569835
H -1.559051 0.068452 1.432021
H -3.069213 1.275224 -2.940379
H -3.550866 -1.141083 0.513813
H -1.688559 -0.776272 -2.748384
H -0.639025 0.643189 -2.477312
H -4.806460 0.802731 -1.211139
H -4.087584 -0.740421 -1.726866
H -1.601917 2.810277 -1.652614
H -3.249228 2.870184 -0.960025
H -0.418933 2.115088 1.736770
H -0.848996 3.544329 0.757552
H -4.334090 1.777411 1.047374
H 1.464707 2.914008 0.282490
H 0.494153 2.655241 -1.170080
H 0.994409 -2.396363 -0.252927
H -4.709647 0.947911 3.417051
H -3.853456 -0.576420 3.011697
H -2.976810 0.986360 2.980780
H -5.850696 -0.651979 1.273938
H 3.778375 2.266048 0.220340
H 3.862753 -2.787890 -0.122027
H -1.116656 -4.242629 1.860923
H -1.291018 -4.625737 0.090620
H -2.677583 -3.926116 0.988098
H 5.963745 -1.496416 0.242024
H 7.658703 0.026008 -0.351303
H 7.428543 -0.099492 1.438134
H 8.144207 1.392986 0.720884


