%chk=000196378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196378

1 1
O 2.311870 -0.692048 -1.388629
O 0.253255 -0.045996 -1.092416
O 1.283925 -1.344889 0.556225
O -5.271740 0.269100 1.940632
O -5.652546 1.519867 0.210582
N 5.014973 0.098403 -0.045055
N -4.950469 0.799051 0.893670
C 4.221930 -1.200074 0.099449
C 4.082006 1.271547 -0.238695
C 5.815911 0.309711 1.224188
C 5.966782 0.012862 -1.216860
C 3.407108 -1.606872 -1.128901
C 1.237105 -0.777867 -0.504242
C -1.025034 0.084138 -0.481114
C -1.416861 -0.521871 0.709362
C -1.852542 0.911352 -1.254961
C -3.568700 0.544737 0.406768
C -2.720240 -0.282509 1.156373
C -3.147256 1.139851 -0.796599
H 4.922147 -2.033096 0.360684
H 3.524660 -1.112843 0.980377
H 3.407832 1.408702 0.627673
H 4.633779 2.219530 -0.379792
H 3.430161 1.133577 -1.131685
H 6.547692 -0.502849 1.394193
H 6.388802 1.257544 1.194008
H 5.165185 0.359445 2.119235
H 6.635174 -0.865605 -1.144085
H 5.427244 -0.054971 -2.182160
H 6.616370 0.908370 -1.283122
H 3.956351 -1.550641 -2.091887
H 3.005139 -2.636588 -0.994544
H -0.748489 -1.170135 1.285091
H -1.489839 1.349893 -2.186750
H -3.083460 -0.737853 2.088942
H -3.841625 1.777528 -1.362756


%chk=000196378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196378

1 1
O 2.341547 -0.812638 -1.202106
O 0.274363 -0.087009 -0.922660
O 1.106699 -1.734091 0.570133
O -5.597383 0.143295 1.659900
O -5.744135 1.741045 0.034098
N 5.106610 0.162360 -0.074403
N -5.105884 0.832956 0.688818
C 4.355632 -1.155510 0.254213
C 4.147412 1.360042 -0.060839
C 6.168530 0.369574 1.009502
C 5.793789 0.084605 -1.436843
C 3.451050 -1.722173 -0.845009
C 1.188959 -0.959369 -0.402820
C -1.072656 0.061988 -0.429057
C -1.630582 -0.686686 0.630428
C -1.797780 1.046318 -1.132910
C -3.694600 0.562668 0.294343
C -2.968507 -0.423678 0.991531
C -3.130691 1.303274 -0.767136
H 5.135198 -1.905739 0.478382
H 3.775941 -0.969100 1.174195
H 3.711006 1.453403 0.945659
H 4.720835 2.267943 -0.303740
H 3.354629 1.191251 -0.802158
H 6.921366 -0.430231 0.937660
H 6.647930 1.348704 0.858988
H 5.684364 0.341016 1.997638
H 6.404324 -0.830394 -1.485949
H 5.033805 0.080985 -2.230837
H 6.439981 0.967936 -1.554104
H 3.977033 -1.907068 -1.793231
H 3.046198 -2.677033 -0.463438
H -1.054547 -1.447765 1.157803
H -1.318323 1.587364 -1.952682
H -3.451820 -0.973975 1.803044
H -3.733693 2.054233 -1.283214


