%chk=000197613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197613

0 1
O -2.455603 -1.746095 -1.197131
O -1.685555 -0.369606 1.519682
O -2.242335 1.913604 -1.228633
N 0.134124 -0.052928 0.013417
N 1.662724 -1.367582 -1.102167
N 1.748403 1.245805 1.439817
N 4.078334 0.591086 1.058950
N 4.713250 -1.087407 -0.482655
C -3.501935 0.046470 0.031389
C -2.224494 0.718968 -0.527149
C -2.936394 -0.422615 -1.300113
C -2.931271 -0.956133 1.045097
C -1.116784 0.516403 0.519491
C -2.584215 -2.198256 0.196687
C -2.448320 3.105368 -0.426016
C 1.403439 0.299646 0.507012
C 0.367940 -1.082870 -0.966268
C 2.342454 -0.527059 -0.199595
C 3.722950 -0.353174 0.114158
C 3.089337 1.326235 1.658082
H -4.453367 0.523481 0.194749
H -3.333741 -0.256878 -2.297952
H -3.512554 -1.145679 1.959484
H -0.880952 1.453710 1.094825
H -1.603455 -2.633439 0.453326
H -3.371234 -2.966666 0.187036
H -2.552282 3.878766 -1.198321
H -1.568195 3.295157 0.196162
H -3.357612 3.017723 0.172825
H -0.456448 -1.535618 -1.517693
H 3.428390 2.067866 2.401907
H 4.483245 -1.772020 -1.186305
H 5.681055 -0.933863 -0.249595


%chk=000197613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197613

0 1
O -2.520302 -1.841860 -1.184578
O -1.765479 -0.694751 1.507007
O -2.016474 1.878478 -1.154872
N 0.175856 -0.256464 0.086378
N 1.789986 -1.507731 -0.963358
N 1.635923 1.362523 1.282782
N 4.022457 0.944299 0.856616
N 4.792003 -0.801263 -0.540552
C -3.514944 0.076983 -0.016745
C -2.140781 0.631073 -0.484004
C -2.876291 -0.439354 -1.309144
C -3.132638 -1.025246 0.990661
C -1.099692 0.253212 0.584586
C -3.052635 -2.303349 0.134682
C -2.053511 3.065976 -0.275503
C 1.410376 0.290066 0.471683
C 0.469433 -1.332562 -0.778055
C 2.390155 -0.494441 -0.186951
C 3.749193 -0.127036 0.035899
C 2.972962 1.616783 1.420884
H -4.436907 0.656141 0.044785
H -3.221533 -0.150884 -2.304848
H -3.793865 -1.112831 1.865425
H -0.822812 1.143855 1.179122
H -2.343937 -3.041449 0.541412
H -4.050859 -2.758863 -0.015912
H -2.160758 3.924454 -0.955115
H -1.113920 3.166448 0.299591
H -2.916821 3.023122 0.417547
H -0.325641 -1.925719 -1.225410
H 3.240822 2.461973 2.061862
H 4.605766 -1.593682 -1.151355
H 5.743769 -0.495500 -0.350017


