%chk=000289943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289943

0 1
O 3.528621 -1.854028 -1.763502
O 0.783056 -1.098714 2.485138
O -4.974824 -1.171418 -0.515498
O -5.529709 1.365468 -1.188820
O -6.278891 1.657703 0.947090
N 3.208284 0.195638 -0.748445
N 0.091876 -1.436928 0.332252
N 0.599254 -1.983191 -0.886375
C 0.816497 0.472411 -0.966369
C 1.264882 -0.865552 -1.632712
C 2.105275 1.141046 -0.431426
C -0.154442 0.044058 0.171868
C 4.598314 0.412196 -0.264949
C 2.789767 -0.963305 -1.405117
C 4.656403 0.372081 1.276331
C 5.158120 1.743805 -0.806233
C -1.602184 0.350672 -0.160992
C 6.101773 0.569621 1.750707
C 6.603768 1.933594 -0.327523
C 6.698273 1.874093 1.203614
C 0.809376 -1.846312 1.527121
C -2.588022 -0.645465 -0.161679
C -1.941655 1.684147 -0.438848
C 1.418332 -3.206062 1.514952
C -3.912741 -0.306088 -0.459598
C -3.262211 2.032451 -0.740739
C -4.238543 1.040244 -0.765380
C -4.758876 -2.525494 -0.040665
C -6.517247 1.617393 -0.229064
C -7.794437 1.827043 -0.962650
H 0.313732 1.133107 -1.701240
H 1.051670 -0.910412 -2.722234
H 2.057316 1.332959 0.662880
H 2.287852 2.116233 -0.930009
H 0.086823 0.558060 1.148113
H 5.211662 -0.439730 -0.678074
H -0.209276 -2.335145 -1.431782
H 4.006979 1.153161 1.713601
H 4.260346 -0.592428 1.647158
H 5.117225 1.750218 -1.911561
H 4.537972 2.594093 -0.468268
H 6.133006 0.574723 2.856814
H 6.723078 -0.290578 1.433318
H 7.253500 1.155882 -0.774647
H 6.993949 2.902051 -0.692864
H 6.170312 2.740798 1.645538
H 7.754315 1.966220 1.519302
H -2.324764 -1.671341 0.091359
H -1.184936 2.464949 -0.406955
H 2.177900 -3.303326 0.715593
H 1.900480 -3.431564 2.476933
H 0.673099 -3.989951 1.314039
H -3.536124 3.065067 -0.956183
H -4.430717 -2.516161 1.003423
H -5.766674 -2.951943 -0.132206
H -4.050348 -3.045752 -0.690419
H -8.512156 1.025653 -0.722355
H -8.259849 2.782659 -0.675804
H -7.657062 1.827892 -2.056956


%chk=000289943-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289943

0 1
O 3.624693 -1.927447 -1.555320
O 0.494876 -1.329188 2.272331
O -4.973538 -1.080609 -0.122678
O -5.630618 1.385513 -1.144767
O -6.237263 1.413257 1.126426
N 3.256192 0.253814 -0.732068
N 0.164934 -1.344143 -0.019039
N 0.578007 -1.855241 -1.301199
C 0.925944 0.587849 -1.228244
C 1.426205 -0.762792 -1.862847
C 2.211911 1.296421 -0.707651
C -0.076938 0.129754 -0.107517
C 4.593480 0.428026 -0.125676
C 2.892373 -0.910771 -1.388197
C 4.519288 0.484315 1.422768
C 5.340115 1.662154 -0.691325
C -1.545977 0.458716 -0.410096
C 5.938975 0.588036 2.030350
C 6.759824 1.764611 -0.081905
C 6.709872 1.804934 1.464611
C 0.624207 -1.942524 1.170049
C -2.551981 -0.494307 -0.121573
C -1.919363 1.728168 -0.912781
C 1.215180 -3.334937 1.039069
C -3.915856 -0.197870 -0.343139
C -3.281794 2.036292 -1.126033
C -4.271328 1.084209 -0.845066
C -4.667721 -2.349370 0.547086
C -6.569204 1.441964 -0.069364
C -7.963418 1.543029 -0.640063
H 0.411929 1.216808 -1.970234
H 1.384655 -0.796062 -2.964895
H 2.079021 1.694475 0.314968
H 2.493261 2.143448 -1.364219
H 0.186610 0.552896 0.880415
H 5.151637 -0.485643 -0.414580
H -0.259851 -2.016280 -1.884365
H 3.925275 1.366535 1.739631
H 3.997387 -0.413703 1.802375
H 5.396709 1.590146 -1.794539
H 4.776159 2.586639 -0.447495
H 5.869050 0.655298 3.132712
H 6.501589 -0.340298 1.801730
H 7.359022 0.888877 -0.405321
H 7.271519 2.664344 -0.474266
H 6.207189 2.739474 1.790172
H 7.736352 1.832300 1.877794
H -2.247307 -1.464181 0.281833
H -1.162595 2.492515 -1.119819
H 2.009907 -3.354130 0.274004
H 1.609163 -3.636903 2.021025
H 0.446282 -4.059851 0.716334
H -3.590140 3.015202 -1.505848
H -4.192457 -2.173086 1.529944
H -5.641022 -2.841836 0.684388
H -4.012224 -2.984887 -0.079393
H -8.255192 0.562260 -1.056714
H -8.671974 1.826120 0.151580
H -7.993634 2.274159 -1.464355


