%chk=000080670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000080670

0 1
O -1.259773 0.668782 -0.665325
O -1.169980 -1.512996 -0.046361
O 2.245442 2.841951 0.862388
O 0.509999 1.804661 1.620238
O -3.107044 0.702894 0.657961
O -1.317674 -1.985155 2.163675
N 1.488581 1.885689 0.896872
C 0.858245 -0.245292 -0.330270
C -0.555867 -0.228569 0.212847
C 1.802380 0.745823 -0.001571
C 1.241532 -1.275719 -1.199457
C 3.104723 0.696886 -0.527622
C 2.538210 -1.329473 -1.717737
C 3.471555 -0.343902 -1.380778
C -2.541763 1.106809 -0.322434
C -1.629781 -2.268702 1.038724
C -2.975030 2.079545 -1.358158
C -2.450194 -3.385795 0.508554
H -0.676565 0.061859 1.286289
H 0.504840 -2.040372 -1.470455
H 3.823055 1.483466 -0.266173
H 2.820400 -2.141847 -2.390144
H 4.483742 -0.383847 -1.785516
H -3.972715 1.820972 -1.747349
H -2.278570 2.128385 -2.212024
H -3.043765 3.094519 -0.930598
H -3.515846 -3.222475 0.750395
H -2.378220 -3.484046 -0.586755
H -2.157119 -4.344953 0.963784


%chk=000080670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080670

0 1
O -1.240725 0.702608 -0.717866
O -1.197452 -1.610681 -0.257074
O 1.966109 3.135515 0.258861
O 0.281253 1.995911 1.275365
O -3.044640 0.580130 0.765157
O -1.324506 -2.169727 2.018054
N 1.300141 2.053483 0.484259
C 0.898627 -0.318708 -0.355120
C -0.559062 -0.329422 0.077233
C 1.755093 0.806277 -0.187792
C 1.448179 -1.456085 -0.989975
C 3.095978 0.800245 -0.633083
C 2.790811 -1.482865 -1.425851
C 3.619151 -0.352074 -1.249315
C -2.500406 1.125607 -0.212720
C -1.659014 -2.394352 0.841961
C -3.011599 2.289835 -1.023039
C -2.573600 -3.483209 0.340739
H -0.699873 -0.135532 1.154883
H 0.799486 -2.321204 -1.146530
H 3.701294 1.698247 -0.485481
H 3.184656 -2.383357 -1.908342
H 4.660007 -0.365683 -1.587016
H -4.076222 2.457431 -0.805528
H -2.859884 2.111323 -2.099879
H -2.441323 3.196979 -0.752182
H -3.576196 -3.051217 0.166866
H -2.216175 -3.891004 -0.618337
H -2.657310 -4.279372 1.094749


