%chk=000076110.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000076110

0 1
O -2.258324 -2.712621 1.684083
O -0.351455 -1.984979 0.971816
N 3.417317 -0.056522 -0.302003
N -0.259217 0.739066 -0.381020
N -0.293016 1.970948 -1.019996
N -1.490102 2.417683 -1.121035
N -4.376941 0.439528 0.239562
N -1.557710 -1.888638 1.121379
C 2.236216 0.786159 -0.658784
C 1.012665 0.007524 -0.130889
C 4.514176 0.739225 0.338632
C 3.908037 -0.844457 -1.481657
C -1.563740 0.375746 -0.048333
C -2.372555 1.482827 -0.535179
C 4.102305 1.162022 1.748962
C 4.704104 -2.056450 -0.996864
C -2.229405 -0.700002 0.586706
C -3.771502 1.476789 -0.372872
C -3.629330 -0.608863 0.701854
H 2.138099 0.983039 -1.747910
H 2.286057 1.788841 -0.178205
H 1.114803 -0.176106 0.968006
H 0.946259 -1.001269 -0.607787
H 5.415147 0.086289 0.402991
H 4.807857 1.628021 -0.260592
H 3.026196 -1.199415 -2.060690
H 4.522233 -0.234892 -2.179392
H 3.296227 1.903700 1.741692
H 3.741997 0.299367 2.326628
H 4.949471 1.595820 2.290815
H 5.652661 -1.767782 -0.530119
H 4.137737 -2.620975 -0.242169
H 4.929592 -2.736030 -1.825081
H -4.399700 2.304434 -0.734634
H -4.199960 -1.420726 1.192785


%chk=000076110-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076110

0 1
O -1.979193 -2.824969 -1.457582
O -0.033504 -1.877696 -0.726026
N 3.289116 -0.106774 -0.173684
N -0.262284 0.756345 0.856037
N -0.393158 2.054298 1.481926
N -1.634285 2.487779 1.307478
N -4.234700 0.490705 -0.519815
N -1.320779 -1.863766 -0.901482
C 1.939911 0.451910 -0.336481
C 1.091294 0.167105 0.933844
C 4.401220 0.801045 -0.547373
C 3.438933 -1.514098 -0.630418
C -1.465094 0.409230 0.271682
C -2.341613 1.518593 0.575596
C 4.608871 1.945545 0.463754
C 4.465100 -2.310274 0.199224
C -2.050666 -0.669188 -0.463234
C -3.694702 1.526765 0.176599
C -3.416126 -0.566790 -0.821463
H 1.412914 0.019674 -1.216781
H 1.999281 1.546167 -0.480405
H 1.575596 0.642404 1.801240
H 1.011205 -0.914060 1.107997
H 5.323988 0.195099 -0.593067
H 4.250084 1.225197 -1.570702
H 2.452706 -2.005023 -0.553309
H 3.720411 -1.550168 -1.711223
H 3.710016 2.582659 0.553934
H 4.837684 1.536431 1.463196
H 5.446423 2.593863 0.145845
H 5.476659 -1.868615 0.140789
H 4.165252 -2.332461 1.261493
H 4.531801 -3.350045 -0.171123
H -4.350166 2.367945 0.422166
H -3.865993 -1.387532 -1.387933


