%chk=000230329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230329

0 1
O 3.736154 2.111394 -0.008243
O 1.185824 -0.777599 2.549365
O 0.744665 -0.631191 -2.059157
O 3.842865 -0.118289 -0.386433
O -5.042591 1.424554 -0.569184
O -3.662604 0.208888 -1.706107
N 1.095409 -0.378743 0.248677
N -3.916865 1.101268 -0.913238
C 1.702748 0.961915 0.287996
C 0.999557 1.965224 -0.645191
C 0.922869 -1.178403 1.447620
C 0.708220 -1.093459 -0.950257
C 0.367213 -2.480237 0.960249
C 0.242039 -2.431231 -0.457335
C -0.401242 2.253390 -0.189856
C 3.191219 0.848148 -0.091359
C 0.002398 -3.602812 1.671404
C -0.250780 -3.503507 -1.168633
C -1.478832 1.566739 -0.765433
C -0.641539 3.204853 0.815700
C -0.502736 -4.706995 0.942811
C -0.626518 -4.658504 -0.440285
C -2.778160 1.840411 -0.319218
C -1.945452 3.472210 1.244002
C -3.026690 2.791996 0.680489
C 5.154712 2.231056 -0.303990
H 1.654071 1.332397 1.357723
H 1.602173 2.902293 -0.684418
H 1.003566 1.578790 -1.693833
H 0.097054 -3.645733 2.757378
H -0.352091 -3.468993 -2.254962
H -1.314151 0.822752 -1.555950
H 0.195273 3.740633 1.267658
H -0.797856 -5.606443 1.486492
H -1.020207 -5.519264 -0.984569
H -2.120332 4.214660 2.023989
H -4.053029 2.989801 1.005740
H 5.728168 1.622026 0.402208
H 5.336911 3.301846 -0.165672
H 5.341669 1.910859 -1.333978


%chk=000230329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230329

0 1
O 3.830756 2.133180 -0.246235
O 0.904754 -0.562490 2.598991
O 1.137072 -0.704825 -2.102479
O 3.884531 -0.195895 -0.231092
O -5.117797 1.271177 -0.589272
O -3.619415 0.341257 -2.033913
N 1.135474 -0.308090 0.246644
N -3.915257 1.089635 -1.024145
C 1.765770 1.010259 0.274070
C 1.010699 2.071164 -0.589655
C 0.781133 -1.019213 1.436479
C 0.907466 -1.086221 -0.928239
C 0.260375 -2.340714 0.971953
C 0.337284 -2.381517 -0.442041
C -0.423171 2.257711 -0.123451
C 3.255618 0.873502 -0.107719
C -0.241079 -3.423002 1.710037
C -0.087517 -3.505062 -1.165696
C -1.487675 1.608542 -0.789947
C -0.719094 3.068158 1.005170
C -0.671284 -4.565943 0.987096
C -0.596110 -4.605978 -0.428499
C -2.805820 1.781224 -0.316927
C -2.045931 3.230957 1.462171
C -3.111012 2.584435 0.802141
C 5.282117 2.141689 -0.567592
H 1.740198 1.327301 1.337366
H 1.577893 3.013293 -0.502768
H 1.041156 1.749969 -1.644015
H -0.295557 -3.380320 2.802187
H -0.027063 -3.524154 -2.258102
H -1.310217 0.982203 -1.669639
H 0.098250 3.580983 1.526883
H -1.069149 -5.431023 1.528068
H -0.937954 -5.500908 -0.959065
H -2.251156 3.862577 2.332314
H -4.148936 2.687965 1.128165
H 5.848655 1.636930 0.232345
H 5.547249 3.205519 -0.635451
H 5.457848 1.622425 -1.523937


