%chk=000213034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213034

0 1
I 1.493396 2.868133 -0.144482
I 1.193997 -2.942035 1.820050
I 6.380172 -0.828167 -0.061157
O -0.400223 0.557726 -1.400875
O -6.482394 -0.101313 0.088316
O -4.979658 1.553709 0.050026
N 0.155153 -0.019607 0.760486
N 4.466024 1.772133 -0.758305
C -2.970571 -0.776211 0.047556
C -2.177182 0.531668 0.241388
C -4.322449 -0.703687 0.791239
C -3.177655 -1.080809 -1.435281
C -0.758765 0.388606 -0.259929
C -5.208560 0.389497 0.278603
C 1.565020 -0.118005 0.581062
C 2.331093 0.948032 0.090132
C 2.214285 -1.315695 0.967415
C 3.723880 0.779397 -0.167742
C 3.585786 -1.471033 0.782645
C 4.332182 -0.452085 0.208477
H -2.390272 -1.618231 0.508373
H -2.669924 1.360868 -0.328276
H -2.217481 0.873944 1.293313
H -4.845189 -1.684966 0.708660
H -4.160496 -0.547494 1.879889
H -3.773603 -0.309861 -1.939949
H -2.217044 -1.118646 -1.973204
H -3.678094 -2.042068 -1.591002
H -0.216346 -0.471238 1.607708
H 4.075308 -2.407446 1.084015
H -7.118381 0.588364 -0.241837
H 4.043607 2.652389 -1.033051
H 5.456981 1.650632 -0.929265


%chk=000213034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213034

0 1
I 1.231086 1.767042 -1.821919
I 1.375311 -1.404455 3.485099
I 6.580947 -0.332076 0.489650
O -0.292809 -1.324168 -0.869662
O -6.622418 -0.307244 0.787531
O -4.774633 1.054172 1.096092
N 0.194740 0.175961 0.855171
N 4.408838 1.055004 -1.578060
C -3.132646 -0.755193 -0.650674
C -2.152782 -0.482966 0.517723
C -4.553619 -1.099990 -0.145146
C -3.140465 0.407308 -1.671194
C -0.688632 -0.591602 0.077427
C -5.261452 0.001132 0.624779
C 1.616892 0.092982 0.757184
C 2.318426 0.649724 -0.341948
C 2.368371 -0.540345 1.785303
C 3.742214 0.539213 -0.485583
C 3.771241 -0.637676 1.701362
C 4.437187 -0.119304 0.578886
H -2.753923 -1.656845 -1.171535
H -2.365044 0.502862 0.969680
H -2.302772 -1.241902 1.314806
H -5.206201 -1.384903 -0.991539
H -4.523113 -1.987601 0.520066
H -3.472686 1.349532 -1.199263
H -2.127070 0.559324 -2.082865
H -3.816302 0.185212 -2.518186
H -0.195494 0.671074 1.661595
H 4.336823 -1.128694 2.495483
H -7.059631 0.416575 1.314218
H 3.891047 1.502572 -2.332093
H 5.421166 0.971776 -1.647390


