%chk=000214422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214422

0 1
O 0.200711 -0.451817 -0.433847
N -6.240424 -0.207363 0.156961
N -2.537259 0.374574 -0.115962
N 0.751996 1.731117 -0.737065
C -4.820036 -0.152899 0.627865
C -3.957947 0.291583 -0.574430
C -6.597733 -1.583665 -0.325248
C -7.197885 0.275672 1.206010
C -1.663877 0.982941 -1.165901
C -0.233032 0.849293 -0.783741
C -7.819365 -1.513720 -1.243144
C -7.083221 1.792783 1.360031
C 1.572905 -0.310334 -0.150965
C 1.913492 1.021964 -0.330211
C 2.257671 -1.535604 0.221981
C 3.193396 1.704829 -0.149864
C 3.597160 -1.733494 -0.156922
C 1.581678 -2.526945 0.954808
C 3.555767 2.758241 -1.006933
C 4.060028 1.318168 0.887074
C 4.252828 -2.911705 0.205676
C 2.246351 -3.702090 1.311332
C 4.782175 3.404301 -0.835820
C 5.283819 1.970687 1.050756
C 3.580923 -3.895449 0.939396
C 5.648526 3.010716 0.189299
H -4.704286 0.594837 1.445448
H -4.455476 -1.114515 1.043484
H -4.296809 1.298710 -0.907594
H -4.107802 -0.390714 -1.437409
H -5.735591 -1.987668 -0.901283
H -6.784879 -2.296585 0.506738
H -8.229996 0.020928 0.873728
H -7.047984 -0.222727 2.187901
H -2.187917 -0.563443 0.119797
H -1.920653 2.073887 -1.233747
H -1.810586 0.552166 -2.186502
H -8.729335 -1.242955 -0.695572
H -7.679412 -0.751088 -2.021738
H -7.996413 -2.473769 -1.737586
H -6.111343 2.092383 1.770469
H -7.183082 2.292795 0.387027
H -7.862793 2.181779 2.022082
H 4.119943 -0.968839 -0.733680
H 0.541098 -2.370665 1.240087
H 2.870398 3.072605 -1.795729
H 3.773177 0.517245 1.568185
H 5.291039 -3.064690 -0.086608
H 1.723324 -4.468973 1.880962
H 5.061257 4.219754 -1.501237
H 5.953212 1.670755 1.855287
H 4.096830 -4.812415 1.219868
H 6.603033 3.516715 0.319985


%chk=000214422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214422

0 1
O 0.245223 -0.566247 -0.361072
N -6.276882 -0.136571 0.190978
N -2.529411 0.328902 -0.204151
N 0.803452 1.585537 -0.858608
C -4.845571 -0.074080 0.576476
C -3.954833 0.391140 -0.592997
C -6.630235 -1.413724 -0.487277
C -7.198554 0.202492 1.308847
C -1.608271 0.836189 -1.243781
C -0.177467 0.701464 -0.829231
C -7.843232 -1.282664 -1.427910
C -7.239142 1.712135 1.612685
C 1.639990 -0.416080 -0.086282
C 1.968296 0.913098 -0.378640
C 2.333278 -1.636289 0.336436
C 3.220406 1.676262 -0.217650
C 3.703433 -1.854765 0.017379
C 1.623513 -2.651672 1.038471
C 3.432790 2.823683 -1.030857
C 4.200570 1.337002 0.755374
C 4.346751 -3.046274 0.409681
C 2.271485 -3.842576 1.425515
C 4.608357 3.591134 -0.897219
C 5.373804 2.108694 0.888768
C 3.637410 -4.044998 1.118315
C 5.588413 3.234616 0.058884
H -4.717110 0.641514 1.406476
H -4.476543 -1.063125 0.955108
H -4.212061 1.438629 -0.836051
H -4.182616 -0.213498 -1.507164
H -5.755338 -1.729302 -1.086104
H -6.813868 -2.231333 0.256657
H -8.213737 -0.124332 1.018683
H -6.938416 -0.364682 2.239063
H -2.256009 -0.614227 0.106849
H -1.797631 1.910689 -1.412352
H -1.747851 0.322544 -2.230856
H -8.757337 -0.982738 -0.884167
H -7.643198 -0.519540 -2.200177
H -8.052655 -2.247798 -1.926403
H -6.249561 2.097429 1.918914
H -7.557426 2.270253 0.715016
H -7.949469 1.923102 2.434094
H 4.255988 -1.101228 -0.552579
H 0.566539 -2.496577 1.277046
H 2.659268 3.102598 -1.753056
H 4.034997 0.485955 1.423944
H 5.400292 -3.200359 0.151505
H 1.711769 -4.612055 1.968691
H 4.758710 4.469337 -1.535062
H 6.115725 1.838072 1.648509
H 4.140419 -4.970059 1.420516
H 6.501146 3.831620 0.164261


