%chk=000259296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259296

0 1
O 3.111203 -3.061137 0.022849
N -0.691945 0.017590 -0.003119
N 1.112128 2.124030 -0.013716
C 0.651906 -0.280457 0.000931
C 1.605890 0.829555 -0.004617
C 3.002942 0.547117 -0.000514
C -1.748185 -1.022596 0.001697
C 1.135296 -1.594214 0.010134
C -3.104564 -0.360324 -0.001829
C 2.529635 -1.813806 0.013884
C 3.466408 -0.785948 0.008834
C 3.899236 1.671841 -0.006285
C -3.730664 -0.036096 1.210192
C -3.738591 -0.064702 -1.216996
C 3.397555 2.945204 -0.015267
C 1.974360 3.133970 -0.018784
C -4.989572 0.570968 1.204405
C -4.997543 0.542365 -1.217244
C -5.624798 0.859159 -0.007926
C 2.253903 -4.226986 0.029082
H -1.629910 -1.677839 0.898802
H -1.629065 -1.686809 -0.888639
H -0.996563 0.993871 -0.010186
H 0.455316 -2.433383 0.014307
H 4.527048 -1.009293 0.012017
H 4.971540 1.480565 -0.003336
H -3.235818 -0.252091 2.156330
H -3.250038 -0.302874 -2.161057
H 4.046949 3.817435 -0.019822
H 1.559224 4.146952 -0.025941
H -5.475012 0.821704 2.146599
H -5.489190 0.770801 -2.161884
H -6.605657 1.331823 -0.010277
H 2.987507 -5.043818 0.035510
H 1.644484 -4.254825 -0.878487
H 1.641685 -4.243053 0.935053


%chk=000259296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259296

0 1
O 3.181319 -3.131252 0.026727
N -0.663032 -0.015359 -0.008958
N 1.056593 2.070686 -0.016333
C 0.681556 -0.317837 -0.001998
C 1.606767 0.804067 -0.005707
C 3.030062 0.552886 0.001857
C -1.732635 -1.017414 -0.004829
C 1.193665 -1.634178 0.008628
C -3.102266 -0.353924 -0.004934
C 2.606654 -1.847857 0.015913
C 3.521042 -0.783807 0.012759
C 3.879870 1.711555 -0.002182
C -3.736711 -0.012922 1.216109
C -3.753929 -0.046427 -1.225697
C 3.316817 2.990211 -0.012935
C 1.892682 3.128584 -0.019840
C -4.999300 0.622174 1.218563
C -5.016710 0.588484 -1.227644
C -5.642683 0.923349 -0.004441
C 2.289013 -4.290919 0.030657
H -1.633264 -1.671389 0.889163
H -1.635784 -1.677901 -0.894280
H -0.882233 0.987245 -0.016828
H 0.506406 -2.483165 0.011011
H 4.593951 -0.995691 0.018629
H 4.967682 1.576865 0.003264
H -3.238849 -0.245435 2.165407
H -3.269491 -0.304851 -2.175234
H 3.945966 3.886118 -0.016178
H 1.428487 4.121416 -0.028340
H -5.479968 0.878886 2.169106
H -5.510865 0.819056 -2.177980
H -6.622935 1.413103 -0.004243
H 2.957706 -5.164459 0.039140
H 1.654483 -4.318533 -0.876833
H 1.647035 -4.306666 0.933180


