%chk=000213118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213118

0 1
O 3.179158 -1.292934 -0.000379
O -3.181072 1.293133 -0.000029
N 4.135639 0.837334 -0.000003
N -4.137559 -0.837136 -0.000589
N 1.782653 0.540790 -0.000367
N -1.784573 -0.540595 -0.000460
C 5.522371 0.467235 -0.000048
C -5.524296 -0.467052 -0.000341
C 8.267851 -0.111697 -0.000044
C -8.269779 0.111870 -0.000012
C 5.953927 -0.870193 0.000222
C -5.955862 0.870388 -0.000362
C 6.462406 1.517229 -0.000342
C -6.464319 -1.517038 -0.000151
C 7.319108 -1.148108 0.000218
C -7.321031 1.148295 -0.000194
C 7.825244 1.219452 -0.000331
C -7.827172 -1.219263 0.000012
C 9.726465 -0.434736 -0.000115
C -9.728389 0.434929 0.000247
C 3.059915 -0.080213 -0.000256
C -3.061835 0.080411 -0.000327
C 0.615154 -0.275383 -0.000495
C -0.617073 0.275576 -0.000340
H 5.227168 -1.690442 0.000415
H -5.229093 1.690630 -0.000498
H 6.141837 2.555747 -0.000587
H -6.143766 -2.555561 -0.000136
H 7.651113 -2.186256 0.000421
H -7.653059 2.186436 -0.000199
H 8.548534 2.033804 -0.000555
H -8.550443 -2.033631 0.000166
H 3.946235 1.839403 0.000188
H -3.948151 -1.839206 -0.000591
H 10.360336 0.460997 0.001212
H 10.003395 -1.026191 0.884456
H 10.003706 -1.023841 -0.886169
H -10.005648 1.023407 0.886709
H -10.362271 -0.460796 -0.001722
H -10.005286 1.027014 -0.883914
H 1.664768 1.547704 -0.000262
H -1.666689 -1.547509 -0.000926
H 0.812056 -1.355863 -0.000732
H -0.813972 1.356057 -0.000090


%chk=000213118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213118

0 1
O 3.162355 -1.468698 -0.000157
O -3.164277 1.468892 -0.000164
N 4.152195 0.685295 -0.000023
N -4.154117 -0.685101 -0.000124
N 1.821329 0.447140 -0.000112
N -1.823252 -0.446946 -0.000146
C 5.540808 0.370177 -0.000105
C -5.542731 -0.369986 -0.000154
C 8.368889 -0.099152 -0.000196
C -8.370812 0.099339 -0.000255
C 6.043828 -0.958624 -0.000088
C -6.045752 0.958816 -0.000370
C 6.456681 1.455413 -0.000156
C -6.458601 -1.455223 -0.000005
C 7.437783 -1.170525 -0.000132
C -7.439708 1.170714 -0.000426
C 7.846666 1.218879 -0.000185
C -7.848588 -1.218690 -0.000069
C 9.865878 -0.358872 -0.000388
C -9.867801 0.359060 -0.000104
C 3.069474 -0.205313 -0.000099
C -3.071397 0.205507 -0.000132
C 0.616432 -0.287340 -0.000118
C -0.618354 0.287534 -0.000116
H 5.344579 -1.796348 -0.000041
H -5.346504 1.796538 -0.000493
H 6.083436 2.488995 -0.000157
H -6.085357 -2.488805 0.000132
H 7.810143 -2.203049 -0.000104
H -7.812070 2.203236 -0.000615
H 8.534098 2.073624 -0.000207
H -8.536018 -2.073437 0.000030
H 3.941786 1.685604 0.000092
H -3.943706 -1.685410 -0.000007
H 10.437989 0.585560 0.001116
H 10.175240 -0.941068 0.888638
H 10.175476 -0.938313 -0.891147
H -10.177484 0.938134 0.890866
H -10.439913 -0.585372 -0.002042
H -10.177077 0.941622 -0.888918
H 1.766964 1.467475 -0.000149
H -1.768887 -1.467280 -0.000254
H 0.782837 -1.369418 -0.000128
H -0.784759 1.369612 -0.000089


