%chk=000196949.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196949

0 1
O -1.434598 -1.297037 0.317411
O 1.586038 -0.986260 1.337240
O -2.370128 0.644328 -0.296739
O 0.927844 0.064965 -1.856672
O -4.105597 -2.584703 -0.434646
O -6.042856 -0.802705 0.893047
O -4.407252 1.325897 1.565553
O 0.957685 -4.247936 -0.200029
O -2.804756 3.520169 -1.704891
O 2.220450 2.255037 -1.172684
N 2.952717 0.433527 0.020371
N 4.492924 1.798951 -1.302957
N 6.753271 1.250204 -1.394613
C -0.133153 -1.341633 -0.314989
C 0.453118 0.075405 -0.520909
C 0.760238 -2.022637 0.736143
C 1.573400 0.222166 0.559158
C -2.504503 -0.784532 -0.471454
C -3.774055 -1.348110 0.211925
C -5.015215 -0.461278 -0.034267
C -4.708528 1.037657 0.210448
C -3.516988 1.439840 -0.691403
C 1.702583 -3.075658 0.129659
C -3.050239 2.885199 -0.450706
C 3.988204 -0.402256 0.389120
C 3.200873 1.592234 -0.881407
C 5.265814 -0.174235 -0.062974
C 5.495890 0.957820 -0.921088
H -0.208341 -1.900265 -1.275499
H -0.313842 0.879336 -0.390753
H 0.168807 -2.418394 1.593097
H 1.357186 1.032561 1.300033
H -2.409886 -1.033423 -1.545220
H -3.604785 -1.518181 1.299943
H -5.396928 -0.629480 -1.070532
H -5.623227 1.651685 0.026590
H -3.728446 1.266513 -1.769602
H 2.526877 -3.317451 0.823299
H 2.123845 -2.755325 -0.846086
H -2.149199 2.912947 0.190386
H -3.846364 3.507717 0.006118
H 1.126514 1.001217 -2.159441
H -3.478526 -3.290893 -0.159949
H -6.314073 -1.741178 0.750053
H -3.557567 0.893942 1.828994
H 3.755330 -1.242260 1.063657
H 0.710122 -4.740486 0.610697
H -1.938792 3.237864 -2.071431
H 6.081447 -0.826726 0.224846
H 7.543680 0.670727 -1.181870
H 6.896884 2.044734 -2.003476


%chk=000196949-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196949

0 1
O -1.435786 -1.678328 0.434760
O 1.666854 -1.598662 0.985130
O -1.982827 0.559923 -0.042071
O 1.339397 -1.235612 -2.032905
O -4.341438 -2.345466 0.341366
O -6.027010 -0.096517 0.858574
O -3.946731 1.888415 1.531730
O 0.742941 -4.961883 -0.447050
O -1.166656 2.812410 -1.749065
O 1.181937 2.226238 -0.493929
N 2.540652 0.396055 -0.013678
N 3.505589 2.513065 -0.680075
N 5.803293 2.742766 -0.892480
C -0.268979 -2.023350 -0.415780
C 0.476162 -0.771613 -0.944041
C 0.749188 -2.688811 0.527347
C 1.300839 -0.350768 0.306875
C -2.430542 -0.840691 -0.177613
C -3.751045 -1.023292 0.587284
C -4.794395 -0.000535 0.092021
C -4.240073 1.445478 0.166108
C -2.952604 1.498411 -0.693519
C 1.585661 -3.795638 -0.144507
C -2.253552 2.860676 -0.785770
C 3.784406 -0.190160 0.030648
C 2.372293 1.783558 -0.412047
C 4.919473 0.542761 -0.266697
C 4.730328 1.932301 -0.612344
H -0.583915 -2.685576 -1.242151
H -0.195707 0.042999 -1.254626
H 0.229924 -3.074666 1.424699
H 0.677883 0.289380 0.956383
H -2.556944 -1.083417 -1.259551
H -3.556710 -0.875192 1.669510
H -4.992928 -0.231260 -0.982040
H -5.009610 2.143755 -0.204827
H -3.153184 1.143087 -1.727301
H 2.435961 -4.060602 0.515956
H 1.967832 -3.450356 -1.116577
H -1.914934 3.180350 0.219310
H -2.990198 3.601576 -1.150991
H 1.534945 -0.480011 -2.639848
H -3.747348 -3.033488 0.733961
H -6.281631 -1.056155 0.879846
H -3.074655 1.483798 1.787560
H 3.801494 -1.238347 0.333161
H 0.496144 -5.416410 0.397938
H -0.291324 2.662878 -1.284545
H 5.906752 0.079700 -0.222433
H 6.759560 2.399988 -0.864237
H 5.615115 3.716840 -1.125968


