%chk=000215828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215828

0 1
O -0.359466 -0.761000 -1.840005
O 1.389708 3.383936 -0.001731
O 5.948247 -1.626324 1.121896
O 6.378150 0.317334 0.276038
N -0.747656 0.826758 -0.260798
N 5.620394 -0.598269 0.552292
C -2.879037 -1.280205 0.687351
C -5.107333 -1.100503 0.286485
C -3.075804 0.255533 0.475116
C -4.601213 0.370321 0.120497
C -4.200061 -1.639808 1.428759
C -3.064927 -2.033090 -0.658071
C -4.587634 -1.914060 -0.933138
C -2.194268 0.877228 -0.616592
C -5.341737 1.348443 1.026058
C -0.281321 1.767925 0.778511
C 0.084892 -0.061800 -0.941046
C -0.011502 3.174117 0.203465
C 1.525762 -0.156126 -0.514170
C 1.946742 -1.318687 0.147907
C 2.435654 0.856918 -0.837513
C 3.288475 -1.468362 0.498905
C 3.781663 0.713488 -0.494832
C 4.194352 -0.446410 0.176205
H -1.949742 -1.531008 1.208796
H -6.185700 -1.184274 0.454218
H -2.872830 0.769785 1.440650
H -4.734255 0.692954 -0.935178
H -4.320351 -2.713376 1.615168
H -4.334578 -1.124669 2.385510
H -2.451732 -1.595584 -1.467193
H -2.749897 -3.082935 -0.569860
H -5.066825 -2.902997 -0.981570
H -4.797965 -1.415087 -1.889038
H -2.338291 0.330120 -1.585386
H -2.491217 1.932564 -0.795950
H -5.295341 1.049379 2.079533
H -6.403030 1.409354 0.756502
H -4.927400 2.359107 0.949909
H -1.052121 1.825381 1.582837
H 0.642129 1.378879 1.265796
H -0.426083 3.303771 -0.816913
H -0.409337 3.966188 0.860806
H 1.229514 -2.111261 0.373051
H 2.092790 1.770766 -1.340868
H 1.859750 3.471061 0.851626
H 3.640582 -2.368888 1.013932
H 4.511048 1.492211 -0.744469


%chk=000215828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215828

0 1
O -0.212234 -0.992012 -1.749716
O 0.715268 3.540126 0.027639
O 6.371801 -1.621074 0.582704
O 6.603459 0.567636 -0.018178
N -0.655079 0.687059 -0.180836
N 5.890391 -0.491047 0.183244
C -3.039100 -1.155538 0.895079
C -5.203468 -0.956417 0.197860
C -3.118421 0.322458 0.391652
C -4.594873 0.438348 -0.169439
C -4.458252 -1.306588 1.521369
C -3.121426 -2.157766 -0.295467
C -4.614281 -2.020164 -0.776338
C -2.067933 0.776948 -0.643141
C -5.372754 1.633061 0.418706
C -0.285446 1.446675 1.029897
C 0.192224 -0.198044 -0.835970
C -0.342943 2.983823 0.881993
C 1.662111 -0.220997 -0.476941
C 2.242842 -1.449709 -0.067970
C 2.492378 0.908996 -0.703008
C 3.627709 -1.544829 0.162601
C 3.883243 0.822522 -0.499772
C 4.428912 -0.401170 -0.054082
H -2.188723 -1.345869 1.573277
H -6.305935 -0.951098 0.244101
H -3.052911 0.981235 1.284612
H -4.569637 0.546647 -1.273400
H -4.668076 -2.331302 1.877142
H -4.655686 -0.595530 2.344556
H -2.383358 -1.943961 -1.086432
H -2.917051 -3.181899 0.067576
H -5.154433 -2.980231 -0.684291
H -4.690506 -1.696563 -1.830672
H -2.132181 0.161294 -1.554913
H -2.277080 1.824952 -0.937801
H -5.498521 1.529983 1.513270
H -6.380574 1.714155 -0.029438
H -4.845997 2.588667 0.230853
H -0.981724 1.165608 1.846530
H 0.723687 1.141710 1.355256
H -1.283503 3.298010 0.402002
H -0.309274 3.433216 1.897061
H 1.602865 -2.328989 0.053716
H 2.039507 1.841089 -1.057263
H 1.571989 3.529169 0.524828
H 4.096625 -2.475499 0.492043
H 4.547565 1.671708 -0.681001


