%chk=000198798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198798

0 1
O -3.949278 1.419738 1.274069
O 4.616286 1.046114 -1.369602
O 5.761042 0.595027 0.660199
N -0.312138 -0.671420 -0.562294
N -2.820504 0.792691 -0.597283
C -0.606915 0.354711 0.492661
C -1.578493 -1.333852 -1.021625
C -1.574028 1.416522 -0.067831
C -2.520545 -0.255939 -1.603263
C 0.653093 -1.702632 -0.052102
C -3.948570 0.746420 0.255242
C 2.009411 -1.083030 0.193113
C -5.144689 -0.054461 -0.216260
C 2.584403 -0.272542 -0.822329
C -6.340530 0.150873 0.725132
C 2.683276 -1.341286 1.387724
C 3.834789 0.233004 -0.557975
C 4.522979 -0.037760 0.663020
C 3.971815 -0.819688 1.651609
C -7.554310 -0.656292 0.278946
C 5.851589 1.297751 -0.622173
H 0.353716 0.845198 0.768708
H -1.024554 -0.084651 1.423847
H -2.094283 -1.899175 -0.216899
H -1.318373 -2.061482 -1.820503
H -1.837240 2.151924 0.728919
H -1.094587 1.978584 -0.900051
H -2.024244 0.243497 -2.470894
H -3.447394 -0.720839 -1.992153
H 0.766528 -2.486192 -0.839822
H 0.286372 -2.225693 0.859254
H -4.887534 -1.130984 -0.267154
H -5.424177 0.248625 -1.246481
H 2.042675 -0.061317 -1.743241
H -6.590731 1.230987 0.775284
H -6.050148 -0.124425 1.760099
H 2.218848 -1.961654 2.153179
H 4.488855 -1.027576 2.583392
H -7.347699 -1.732102 0.265607
H -7.887463 -0.370554 -0.725210
H -8.400514 -0.496500 0.958621
H 5.905656 2.374231 -0.413819
H 6.683111 0.859250 -1.188960


%chk=000198798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198798

0 1
O -4.224535 1.600269 1.288658
O 4.379242 1.431801 -1.474720
O 5.942003 0.792952 0.237913
N -0.255016 -0.907059 -0.210065
N -2.816872 0.394014 -0.111352
C -0.575552 0.038139 0.890360
C -1.472281 -1.610943 -0.673511
C -1.615717 1.071881 0.423941
C -2.521381 -0.591097 -1.167743
C 0.852329 -1.833520 0.127208
C -4.081917 0.731682 0.369705
C 2.203606 -1.131675 0.228030
C -5.291019 0.013921 -0.256456
C 2.549768 -0.140277 -0.738032
C -6.631572 0.521170 0.313199
C 3.126739 -1.495821 1.237534
C 3.817411 0.430468 -0.640338
C 4.736643 0.056026 0.364105
C 4.420283 -0.906847 1.323375
C -7.837462 -0.214760 -0.307388
C 5.752949 1.662927 -0.954524
H 0.351258 0.559253 1.188438
H -0.969734 -0.503747 1.787086
H -1.930630 -2.233283 0.138280
H -1.199890 -2.284937 -1.507679
H -1.941334 1.716757 1.255986
H -1.168750 1.704450 -0.369372
H -2.111253 -0.067161 -2.055979
H -3.438244 -1.119128 -1.469324
H 0.894049 -2.592219 -0.680932
H 0.659059 -2.392493 1.077692
H -5.205924 -1.079048 -0.082054
H -5.279469 0.153393 -1.357129
H 1.827346 0.155277 -1.502984
H -6.710644 1.609177 0.135246
H -6.626799 0.398162 1.411260
H 2.840587 -2.251692 1.977839
H 5.130372 -1.187469 2.105166
H -7.793498 -1.302358 -0.105149
H -7.871700 -0.078983 -1.405571
H -8.789436 0.164392 0.106714
H 5.848338 2.718340 -0.647073
H 6.484149 1.373169 -1.729656


