%chk=000193949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193949

0 1
O -2.620699 1.849322 -1.255111
O -4.504759 0.186565 -0.648293
O 2.461268 -1.188056 -0.427698
O 3.866470 0.203126 0.681382
N -1.703059 -2.182295 -0.396997
N 1.671894 2.126779 0.870573
C -1.061739 -3.009976 0.686882
C -2.601661 -1.095297 0.091365
C -3.315554 -0.451282 -1.115470
C -0.131895 -2.126128 1.530221
C -2.109617 -3.692151 1.594711
C -0.233359 -4.094975 -0.034195
C -2.437972 0.554869 -1.882769
C -0.385106 1.923563 -0.126159
C -1.672650 2.420642 -0.444070
C 0.453018 2.769812 0.694861
C 0.373321 0.746287 -0.419690
C 1.616198 0.884236 0.183742
C -2.101829 3.649189 0.057867
C 0.027566 4.020398 1.199423
C -1.249715 4.430955 0.870817
C 2.773515 -0.013680 0.197507
C 3.507506 -2.237685 -0.524851
C 3.627953 -2.909989 0.830685
C 2.941513 -3.129469 -1.615806
H -2.236687 -2.803908 -1.018883
H -3.377745 -1.441164 0.811833
H -1.987181 -0.342980 0.633853
H -3.711506 -1.228570 -1.813149
H -0.668273 -1.312708 2.028230
H 0.642626 -1.665415 0.896479
H 0.375681 -2.707156 2.305049
H -2.808130 -4.309401 1.023109
H -1.628772 -4.345073 2.330067
H -2.697881 -2.959822 2.157113
H -0.853421 -4.753621 -0.647932
H 0.300551 -4.722056 0.685814
H 0.522667 -3.634415 -0.696705
H -1.381320 0.244268 -1.941840
H -2.831716 0.751168 -2.899629
H 0.036408 -0.109845 -0.992651
H -4.300497 1.092452 -0.303330
H 2.476273 2.455847 1.376902
H -3.094117 4.014188 -0.195994
H 0.684069 4.623477 1.814929
H -1.625663 5.387944 1.238845
H 4.450780 -1.730342 -0.823949
H 4.308230 -3.768050 0.796596
H 4.019871 -2.208403 1.582755
H 2.655698 -3.267714 1.194009
H 3.518519 -4.053598 -1.722220
H 2.927083 -2.618756 -2.586597
H 1.891540 -3.406206 -1.389734


%chk=000193949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193949

0 1
O -2.620156 1.488919 -0.086113
O -5.016574 0.177262 -0.692889
O 2.719139 -1.260060 -0.509476
O 4.228110 0.487517 -0.078459
N -2.051504 -2.123902 -0.227934
N 2.080461 2.293524 0.133105
C -1.476892 -3.065912 0.799118
C -3.294023 -1.395767 0.128471
C -3.718928 -0.438967 -1.010846
C -1.118527 -2.279151 2.083690
C -2.456981 -4.225955 1.148304
C -0.185340 -3.647703 0.174248
C -2.673818 0.640825 -1.307474
C -0.172607 1.951755 0.003201
C -1.536202 2.380046 0.053480
C 0.856719 2.947447 0.216171
C 0.487709 0.683390 -0.190990
C 1.866420 0.927396 -0.110960
C -1.828653 3.725413 0.330982
C 0.570614 4.306594 0.486112
C -0.785418 4.673834 0.548434
C 3.044299 0.062739 -0.220966
C 3.877084 -2.226644 -0.616816
C 4.216603 -2.737285 0.790441
C 3.412835 -3.315865 -1.585916
H -2.184733 -2.642167 -1.112566
H -4.167387 -2.053737 0.339037
H -3.103200 -0.789394 1.031294
H -3.902590 -1.013216 -1.939767
H -2.019572 -1.938715 2.624749
H -0.504515 -1.395010 1.838999
H -0.543921 -2.925624 2.771415
H -2.693743 -4.825108 0.247893
H -2.012140 -4.904115 1.900138
H -3.404906 -3.839495 1.564960
H -0.408864 -4.178926 -0.772625
H 0.286930 -4.372363 0.862872
H 0.534788 -2.839723 -0.043960
H -1.695031 0.182026 -1.519423
H -2.996496 1.276003 -2.154464
H 0.022388 -0.291259 -0.340874
H -4.834166 0.900033 -0.036418
H 3.012583 2.693254 0.241490
H -2.877336 4.035109 0.372035
H 1.365968 5.040883 0.647527
H -1.053839 5.714603 0.759961
H 4.730887 -1.657697 -1.029135
H 5.041027 -3.471977 0.735878
H 4.539083 -1.906951 1.440885
H 3.339301 -3.230686 1.245322
H 4.226605 -4.047054 -1.743016
H 3.140682 -2.881561 -2.563001
H 2.535518 -3.851681 -1.184231


