%chk=000196632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196632

0 1
O 0.807977 -2.096028 0.967999
O 0.228209 -3.414513 -0.766631
O -4.663598 2.804165 0.475373
O 5.509947 -0.619029 -0.111867
O -5.700464 2.104459 -1.291291
O 5.802763 1.224384 -1.206557
N -2.561661 -0.747895 0.276832
N 1.630496 0.680787 0.453148
N -3.978554 -0.154499 -1.398545
N 3.041768 1.838189 -0.901300
N -4.872629 1.988572 -0.417112
N 5.120398 0.448858 -0.576673
C -0.118966 -1.072636 0.507164
C -1.521572 -1.464973 1.022192
C 0.417184 0.223436 1.144213
C -3.092176 -1.089676 -1.012671
C 1.778651 1.790323 -0.446110
C -3.154332 0.451400 0.672930
C 2.860693 0.028031 0.521865
C -4.023200 0.797169 -0.368996
C 3.716185 0.755189 -0.314443
C -2.711359 -2.306984 -1.747116
C 0.682922 2.717280 -0.778800
C 0.958504 -3.238420 0.176767
C 2.065746 -4.052991 0.721497
H -0.089735 -1.038086 -0.609945
H -1.621756 -1.282205 2.116386
H -1.661351 -2.569458 0.887545
H 0.650244 0.046257 2.224656
H -0.361927 1.022188 1.105075
H -2.971527 0.959334 1.605234
H 3.050015 -0.855943 1.112699
H -1.643529 -2.574911 -1.646619
H -3.301843 -3.179824 -1.419936
H -2.910160 -2.190043 -2.830374
H 1.028531 3.472713 -1.514968
H -0.178231 2.209621 -1.239503
H 0.329152 3.283316 0.097005
H 2.317690 -3.801102 1.765508
H 2.990059 -3.906428 0.128892
H 1.831735 -5.130827 0.676777


%chk=000196632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196632

0 1
O 0.869889 -2.128161 0.949256
O 0.329272 -3.475125 -0.876453
O -4.663704 2.810121 0.966447
O 5.679801 -0.227206 0.632808
O -5.623899 2.360142 -1.065131
O 5.904418 1.365267 -0.999056
N -2.576189 -0.722713 0.321123
N 1.632377 0.676477 0.405553
N -4.042569 0.000536 -1.254523
N 3.081608 1.735190 -0.985023
N -4.821961 2.082900 -0.101266
N 5.199438 0.666540 -0.183425
C -0.108328 -1.119417 0.462451
C -1.521505 -1.523952 0.962460
C 0.371280 0.233620 1.017449
C -3.164834 -0.973830 -0.943920
C 1.784665 1.616603 -0.644875
C -3.119254 0.462517 0.814450
C 2.896459 0.189638 0.725613
C -4.013307 0.877988 -0.175087
C 3.761503 0.858634 -0.143065
C -2.878185 -2.187401 -1.772690
C 0.650965 2.372437 -1.265554
C 1.033829 -3.279416 0.136263
C 2.145393 -4.147415 0.663842
H -0.096178 -1.123082 -0.643669
H -1.590429 -1.408194 2.058083
H -1.686619 -2.585717 0.718206
H 0.505679 0.152774 2.110918
H -0.397074 0.999898 0.821058
H -2.876974 0.886899 1.783632
H 3.076889 -0.547936 1.499100
H -1.802169 -2.425986 -1.839278
H -3.388156 -3.081882 -1.366162
H -3.270449 -2.012984 -2.785709
H 1.061992 2.993328 -2.075287
H -0.117667 1.706977 -1.701039
H 0.148798 3.044216 -0.544162
H 2.083769 -4.242185 1.760152
H 3.120199 -3.682586 0.426970
H 2.101525 -5.138313 0.189838


