%chk=000231977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231977

0 1
O 4.585001 -2.618590 -0.827795
O 2.597677 -3.436310 -0.224590
O 2.894341 3.898064 0.244475
O 0.784770 3.418844 0.204210
O -5.687602 0.475630 -0.007565
N 0.613107 -1.627630 0.266624
N -3.530031 0.760107 -0.777669
N 1.966057 3.113822 0.172102
C 1.583962 -0.660421 0.077653
C -0.790315 -1.388370 0.480607
C 2.917018 -1.037130 -0.274410
C 1.300391 0.730335 0.247710
C -1.486127 -0.426077 -0.261734
C -2.867492 -0.254204 -0.026572
C 2.294937 1.659292 0.020036
C -1.446879 -2.201499 1.420247
C 3.899320 -0.045077 -0.482608
C 3.604925 1.302349 -0.349414
C -3.534886 -1.059979 0.914161
C -2.819053 -2.025626 1.619508
C 3.283827 -2.446751 -0.419653
C -4.913795 1.079702 -0.717875
C -5.301624 2.220221 -1.613880
H 0.904458 -2.629021 0.265115
H 0.305569 1.056999 0.575001
H -0.975337 0.160676 -1.021674
H -0.903116 -2.950984 1.990473
H 4.914178 -0.361660 -0.756545
H 4.362105 2.072901 -0.510608
H -4.609381 -0.932093 1.090525
H -3.339522 -2.653102 2.346655
H -2.933422 1.311821 -1.400393
H -4.788694 3.156734 -1.352712
H -6.384477 2.416431 -1.520611
H -5.108654 2.012139 -2.675008
H 4.820663 -3.585444 -0.918486


%chk=000231977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231977

0 1
O 4.600346 -2.702979 -0.723407
O 2.500128 -3.412447 -0.062085
O 3.016641 4.002814 -0.092870
O 0.830344 3.499396 0.307495
O -5.845798 0.411432 -0.079106
N 0.615108 -1.556199 0.310121
N -3.603032 0.764768 -0.687380
N 2.052310 3.161387 0.062112
C 1.595608 -0.606916 0.077437
C -0.786357 -1.376944 0.498252
C 2.947087 -1.019909 -0.256051
C 1.342153 0.795098 0.191921
C -1.531144 -0.383927 -0.181794
C -2.933404 -0.275844 0.015275
C 2.370169 1.709163 -0.060410
C -1.457358 -2.294475 1.349937
C 3.952812 -0.043367 -0.498824
C 3.687569 1.328405 -0.417634
C -3.605842 -1.187605 0.872594
C -2.852295 -2.191267 1.517683
C 3.286519 -2.448990 -0.327812
C -4.970807 1.068598 -0.711941
C -5.310562 2.278742 -1.582126
H 0.974205 -2.528612 0.334143
H 0.369686 1.170776 0.512220
H -1.035896 0.277388 -0.901479
H -0.884247 -3.065535 1.875936
H 4.955183 -0.396762 -0.752906
H 4.448144 2.087388 -0.607968
H -4.684075 -1.101593 1.010883
H -3.366993 -2.899529 2.175746
H -3.000252 1.381926 -1.237598
H -4.804684 3.191307 -1.215677
H -6.397289 2.440005 -1.548145
H -5.007978 2.117041 -2.633453
H 4.745902 -3.686635 -0.737786


