%chk=000201607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201607

0 1
O -2.499808 -0.033246 -0.150584
O -0.444541 1.639029 1.882037
O 3.681435 -1.459080 0.346729
N 0.074228 2.072248 -0.306061
N 2.119698 -3.150165 0.328674
C 1.781164 3.938400 -0.201085
C 0.294201 3.518809 -0.085272
C 2.311307 3.749102 -1.626445
C 2.650368 3.192615 0.813509
C -0.235399 -0.232336 0.384737
C -0.218493 1.223514 0.759081
C -1.423662 -0.874789 -0.028041
C 0.939404 -0.970296 0.502786
C 0.934880 -2.349125 0.214002
C -1.437216 -2.249862 -0.306650
C -0.257163 -2.982949 -0.185318
C -3.813216 -0.621321 -0.421225
C 3.437032 -2.649055 0.384294
C -4.731972 0.558726 -0.338767
C 4.489033 -3.717658 0.493798
C -6.030085 0.487415 -0.617261
H 1.819968 5.032290 0.041680
H -0.319743 4.081417 -0.822463
H -0.090185 3.789054 0.929519
H 2.379197 2.690591 -1.900085
H 1.676296 4.246963 -2.365671
H 3.320961 4.164793 -1.725717
H 3.663477 3.604942 0.853072
H 2.225838 3.248518 1.823981
H 2.743794 2.127467 0.568743
H 0.353576 1.704441 -1.208376
H 1.867626 -0.476074 0.822518
H -2.348030 -2.752522 -0.617189
H -0.270625 -4.049600 -0.405955
H 1.969585 -4.158212 0.344275
H -4.031877 -1.379541 0.353218
H -3.787307 -1.078998 -1.426231
H -4.237496 1.485255 -0.022603
H 5.488356 -3.249902 0.534374
H 4.385098 -4.318843 1.406847
H 4.492885 -4.398746 -0.366735
H -6.691389 1.341016 -0.549873
H -6.538098 -0.413283 -0.928870


%chk=000201607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201607

0 1
O -2.814365 -0.093323 -0.123759
O -1.119073 2.073013 0.946840
O 3.681344 -1.188544 -0.175039
N 0.471196 2.046072 -0.763035
N 2.099888 -2.909206 0.063127
C 2.105088 3.884055 -0.144343
C 0.726590 3.494570 -0.753441
C 3.281849 3.271209 -0.941855
C 2.186424 3.507471 1.352297
C -0.417285 -0.082619 0.011402
C -0.415110 1.429722 0.111317
C -1.632046 -0.828359 -0.021879
C 0.820246 -0.762749 0.033665
C 0.872544 -2.180594 0.037388
C -1.580440 -2.244905 0.001492
C -0.340006 -2.911619 0.031054
C -4.095430 -0.810537 0.059473
C 3.401641 -2.418948 -0.041397
C -5.173670 0.236972 0.139484
C 4.493226 -3.485649 0.021639
C -6.340229 0.177882 -0.547142
H 2.167370 4.990091 -0.232086
H 0.658898 3.875453 -1.791718
H -0.088172 3.950197 -0.162938
H 3.307122 2.169244 -0.836740
H 3.216850 3.517574 -2.019417
H 4.248994 3.653529 -0.567097
H 3.150507 3.830606 1.786873
H 1.367376 3.973273 1.929082
H 2.106401 2.412576 1.482853
H 0.975317 1.462382 -1.432529
H 1.758199 -0.205671 0.078234
H -2.498820 -2.837738 -0.024488
H -0.321748 -4.009061 0.043172
H 2.004252 -3.922981 0.151358
H -4.041141 -1.392833 1.004932
H -4.273631 -1.509787 -0.782854
H -4.961976 1.067793 0.824928
H 5.116081 -3.414306 -0.886458
H 5.149403 -3.275202 0.883929
H 4.110807 -4.517584 0.111233
H -7.112600 0.944519 -0.424930
H -6.558769 -0.634990 -1.251228


