%chk=000273761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273761

0 1
O -1.007954 0.896697 0.002742
O 2.238065 3.202048 0.007003
O 0.080062 3.033632 0.010296
O 4.137531 -2.695912 -0.009262
O 5.038275 -0.727053 -0.002680
N 1.199975 2.560573 0.007022
N 4.078125 -1.477080 -0.005140
C -2.193966 0.100410 0.001017
C -2.779286 -0.204911 -1.239516
C -2.780115 -0.208335 1.240314
C 0.180795 0.250690 0.000858
C -4.011264 -0.875774 -1.217724
C -4.012088 -0.879125 1.215847
C 1.325467 1.095747 0.002825
C -4.614725 -1.208362 -0.001594
C -2.113732 0.168477 -2.517032
C -2.115416 0.161566 2.519283
C 0.333951 -1.157846 -0.002901
C 2.606480 0.521179 0.000796
C 2.738543 -0.868515 -0.002995
C 1.597464 -1.711162 -0.004811
H -4.501816 -1.132835 -2.155730
H -4.503263 -1.138763 2.152818
H -5.573805 -1.729239 -0.002637
H -1.529691 1.098851 -2.416302
H -1.422957 -0.618168 -2.855035
H -2.834595 0.336840 -3.330158
H -1.425618 -0.626427 2.856123
H -1.530484 1.091687 2.421206
H -2.836890 0.328702 3.332119
H -0.553579 -1.794943 -0.004225
H 3.499734 1.172861 0.002225
H 1.742175 -2.800810 -0.007755


%chk=000273761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273761

0 1
O -1.026404 0.881248 -0.058557
O 2.190202 3.257771 -0.257019
O 0.333316 2.994725 1.045792
O 4.206960 -2.779422 -0.192683
O 5.143830 -0.703484 -0.015872
N 1.277621 2.534443 0.301150
N 4.125761 -1.493836 -0.088700
C -2.241068 0.097742 -0.036184
C -2.814825 -0.278479 -1.273722
C -2.835549 -0.130531 1.227755
C 0.199925 0.252069 -0.000640
C -4.058351 -0.956731 -1.217231
C -4.079138 -0.810962 1.230701
C 1.368726 1.066779 0.107078
C -4.681984 -1.224856 0.021963
C -2.133400 0.046326 -2.588356
C -2.168393 0.347581 2.501945
C 0.360783 -1.156121 -0.104865
C 2.654936 0.505973 0.055458
C 2.776226 -0.891684 -0.051868
C 1.639510 -1.730495 -0.122647
H -4.538139 -1.264819 -2.152913
H -4.575949 -1.004786 2.187926
H -5.645462 -1.745141 0.044654
H -1.892703 1.122228 -2.657638
H -1.179737 -0.503493 -2.703842
H -2.779418 -0.220686 -3.440670
H -1.301033 -0.287414 2.768947
H -1.787046 1.377559 2.389386
H -2.873950 0.318869 3.348394
H -0.530827 -1.785392 -0.177456
H 3.542762 1.141713 0.106607
H 1.778213 -2.811993 -0.199898


