%chk=000180823.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180823

0 1
O -0.033114 0.260023 0.752924
O 7.120837 -0.141657 0.286885
O -5.408801 1.091341 -0.152516
N 8.309766 -0.024839 -0.431100
C 3.494339 0.344204 -0.447427
C 2.279762 0.170985 0.469836
C 4.794052 0.032053 0.301273
C 0.983255 0.481813 -0.275243
C 6.004789 0.204297 -0.613567
C -1.350379 0.462650 0.418011
C -2.225974 0.226564 1.504512
C -1.819006 0.855385 -0.842489
C -4.052742 0.783717 0.048886
C -3.590515 0.391064 1.317217
C -3.196678 1.012942 -1.029465
C -6.339455 0.063341 -0.058551
C 9.344803 -0.311231 0.299631
C 10.711819 -0.216564 -0.325890
C -6.020689 -1.296212 0.020659
C -7.667485 0.527533 -0.083399
C -7.073140 -2.215736 0.078638
C -8.692928 -0.413125 -0.026445
C 11.550412 -1.449033 -0.001270
C -8.401363 -1.782487 0.056482
H 3.400324 -0.318787 -1.330714
H 3.526879 1.379414 -0.842310
H 2.361784 0.827294 1.360929
H 2.236083 -0.860842 0.875786
H 4.776843 -1.001487 0.703792
H 4.902960 0.688046 1.189133
H 0.792941 -0.209393 -1.113038
H 0.921780 1.530372 -0.611117
H 6.009794 -0.490784 -1.468338
H 6.141836 1.238364 -0.968030
H -1.812152 -0.073996 2.465582
H -1.142968 1.038299 -1.671202
H -4.298428 0.228491 2.129542
H -3.602361 1.318640 -1.993250
H 9.315635 -0.618464 1.353512
H 10.638368 -0.086321 -1.427915
H 11.210224 0.702829 0.050612
H -4.987996 -1.633207 0.028695
H -7.866670 1.594171 -0.147171
H -6.849541 -3.280753 0.140027
H -9.730812 -0.080654 -0.045002
H 12.537097 -1.389401 -0.475997
H 11.711387 -1.564049 1.076936
H 11.069403 -2.367289 -0.361673
H -9.211176 -2.505921 0.102316


%chk=000180823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180823

0 1
O -0.066056 0.049734 0.864044
O 7.310963 -0.106773 0.429466
O -5.429775 0.930668 -0.640118
N 8.503627 0.113424 -0.409434
C 3.575454 0.216738 -0.251899
C 2.337980 -0.001702 0.647820
C 4.898153 -0.054999 0.500960
C 1.029223 0.267164 -0.098057
C 6.118905 0.182863 -0.392955
C -1.380980 0.259565 0.417776
C -2.392376 0.065257 1.393250
C -1.734197 0.644589 -0.899769
C -4.093826 0.622426 -0.262117
C -3.745798 0.250563 1.059843
C -3.095949 0.821872 -1.234530
C -6.502141 0.080782 -0.274349
C 9.589966 -0.122141 0.280320
C 10.941195 0.030433 -0.375972
C -6.349350 -1.298795 0.001998
C -7.780570 0.684403 -0.273704
C -7.497853 -2.070544 0.290075
C -8.917113 -0.101058 0.012463
C 11.761798 -1.284471 -0.328049
C -8.783065 -1.480809 0.299625
H 3.513386 -0.445812 -1.140336
H 3.576807 1.258422 -0.635566
H 2.389078 0.665481 1.529305
H 2.325814 -1.040017 1.030670
H 4.914849 -1.099215 0.868479
H 4.966198 0.601254 1.390046
H 0.912643 -0.423657 -0.959958
H 0.993375 1.311761 -0.473952
H 6.112729 -0.485865 -1.276575
H 6.164832 1.232188 -0.746126
H -2.095500 -0.219081 2.407199
H -0.972530 0.805839 -1.667466
H -4.523287 0.118669 1.818777
H -3.391783 1.121378 -2.244334
H 9.545899 -0.443878 1.335319
H 10.799010 0.359517 -1.420910
H 11.506042 0.829105 0.146795
H -5.358767 -1.763137 -0.018651
H -7.861157 1.752166 -0.498677
H -7.383283 -3.139754 0.501287
H -9.908027 0.366472 0.013430
H 12.757870 -1.135680 -0.782315
H 11.910712 -1.627289 0.712647
H 11.246647 -2.089471 -0.881155
H -9.666973 -2.086988 0.524078


