%chk=000193232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193232

0 1
O -2.532017 2.302280 0.805819
O 0.550947 -0.949129 -1.425041
O -4.879987 0.362957 -0.702508
O -3.109817 2.174858 2.097136
O -3.169092 0.303889 -2.188011
O -1.573020 -3.494429 0.492771
O -3.270220 -2.499475 1.682536
N 1.577033 0.848156 -0.371649
N 3.995278 0.862398 0.180800
N 2.423403 2.696220 0.729055
N -2.050183 -1.335778 0.064615
N 3.351771 -2.234467 -1.509877
N 5.181937 -1.185786 -0.621185
C -0.884761 1.519711 -0.612837
C 0.500147 1.769969 -0.164203
C -1.778059 1.081905 0.555159
C 2.737798 1.496102 0.200634
C -2.770934 -0.068531 0.233500
C 1.034650 2.866118 0.509194
C 1.571080 -0.451846 -0.991884
C 2.902813 -1.003335 -0.994773
C 4.062039 -0.370672 -0.445174
C 0.325314 4.072601 0.974577
C 5.189272 1.562773 0.703720
C -3.561400 0.214365 -1.051930
C 4.716410 -2.300177 -1.264974
C -2.401062 -2.435736 0.837623
C -5.821993 0.642615 -1.774468
C -1.834833 -4.726555 1.221026
H -1.305375 2.449357 -1.072833
H -0.918713 0.770924 -1.445693
H -1.203272 0.818700 1.473335
H -3.502265 -0.152245 1.099868
H -0.724480 3.846133 1.237810
H 0.316814 4.855804 0.201059
H 0.806188 4.508028 1.865606
H -1.283656 -1.380360 -0.624691
H 4.935156 2.094391 1.641770
H 5.998158 0.836646 0.909028
H 5.555376 2.307996 -0.025991
H 2.750820 -2.904134 -1.960748
H 5.344951 -3.137794 -1.551261
H -4.083329 2.241775 1.853193
H -5.720733 1.692875 -2.062537
H -6.789343 0.434974 -1.304551
H -5.633140 -0.017034 -2.628488
H -2.860526 -5.058344 1.028830
H -1.673383 -4.563115 2.291533
H -1.094061 -5.408478 0.790511


%chk=000193232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193232

0 1
O -2.179265 2.021691 1.094431
O 0.841117 -1.377307 -0.206920
O -4.724592 0.745708 0.374226
O -2.988939 1.814310 2.370659
O -3.793517 -0.037553 -1.616354
O -1.961058 -3.837626 -0.397247
O -3.980804 -2.817684 0.267255
N 1.748669 0.831109 -0.230127
N 4.152613 1.264764 0.041357
N 2.469997 3.012248 -0.184887
N -1.980457 -1.611872 0.103024
N 3.780813 -2.265896 0.094959
N 5.517535 -0.796267 0.242469
C -0.795274 1.121656 -0.594744
C 0.593806 1.653586 -0.390130
C -1.535100 0.741772 0.719752
C 2.852103 1.734637 -0.118622
C -2.608808 -0.380072 0.562880
C 1.064850 2.970352 -0.352258
C 1.846412 -0.596224 -0.155177
C 3.217260 -0.985803 -0.007164
C 4.320376 -0.102585 0.090408
C 0.272607 4.239591 -0.459874
C 5.270298 2.221424 0.161062
C -3.735745 0.084964 -0.379821
C 5.147108 -2.100496 0.239392
C -2.745956 -2.747927 0.014414
C -5.878677 1.269700 -0.398586
C -2.710201 -5.099851 -0.559000
H -1.396822 1.898173 -1.100825
H -0.792337 0.250498 -1.269922
H -0.827603 0.429539 1.510740
H -3.076105 -0.535414 1.552450
H -0.787472 4.071250 -0.209016
H 0.334149 4.669140 -1.477828
H 0.679458 4.991851 0.237147
H -0.966934 -1.643128 -0.094254
H 5.124601 2.860051 1.048085
H 6.200361 1.641841 0.254410
H 5.305187 2.867980 -0.731034
H 3.252814 -3.138030 0.062281
H 5.838870 -2.933124 0.337978
H -3.883175 1.599950 1.950064
H -5.536685 2.028379 -1.121995
H -6.549934 1.708499 0.352645
H -6.368319 0.440876 -0.934397
H -3.502113 -4.985308 -1.318720
H -3.170599 -5.404432 0.396470
H -1.956812 -5.831838 -0.884255


