%chk=000218725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218725

0 1
O 2.007030 -1.384263 0.851702
O -0.875500 -1.010383 -0.556877
O 2.503439 2.505158 0.518739
O 2.270899 -3.657970 0.809946
N 0.892918 0.967557 -0.095551
C -1.542067 1.247458 -0.273822
C -0.244430 1.808183 -0.099382
C -1.777138 -0.202566 -0.362220
C 3.281554 0.346986 -0.081664
C -2.647452 2.125950 -0.376449
C -0.113376 3.214455 0.044646
C -3.173548 -0.720668 -0.180463
C 2.228202 1.372095 0.169230
C 3.199428 -1.020682 0.243577
C -2.501497 3.497069 -0.263571
C -1.220641 4.038280 -0.037320
C 4.480218 0.815248 -0.653595
C -3.882815 -0.450836 0.998207
C -3.741414 -1.521626 -1.179611
C 4.256391 -1.905579 -0.004247
C 5.537329 -0.054421 -0.913649
C 5.421825 -1.412836 -0.589314
C -5.164647 -0.978617 1.171150
C -5.028751 -2.038664 -1.005442
C -5.738936 -1.768615 0.168565
C 1.587150 -2.713234 1.084722
C 0.237260 -2.624735 1.683993
H 0.724108 -0.051531 -0.284153
H -3.642200 1.708149 -0.557108
H 0.878204 3.652934 0.221128
H -3.361593 4.156525 -0.347432
H -1.103942 5.118764 0.068662
H 4.571095 1.881389 -0.886469
H -3.434740 0.167625 1.776648
H -3.176424 -1.743219 -2.086471
H 4.169024 -2.965915 0.250925
H 6.454280 0.322277 -1.363515
H 6.251270 -2.092927 -0.792017
H -5.717550 -0.774241 2.087023
H -5.475021 -2.656697 -1.783621
H -6.740569 -2.175769 0.304516
H 0.124441 -1.759620 2.356942
H -0.016263 -3.540535 2.238499
H -0.527450 -2.491152 0.883146


%chk=000218725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218725

0 1
O 1.874745 -1.448469 0.706408
O -0.837497 -0.849038 -0.737322
O 2.621599 2.590843 0.387878
O 2.177518 -3.790394 0.820666
N 0.881092 1.079875 -0.080344
C -1.560515 1.405626 -0.249553
C -0.229825 1.949935 -0.054375
C -1.796977 -0.048883 -0.423652
C 3.253365 0.330994 -0.140169
C -2.663836 2.307329 -0.321824
C -0.086847 3.354521 0.146298
C -3.157539 -0.652939 -0.210165
C 2.225794 1.414440 0.107529
C 3.116313 -1.064604 0.117780
C -2.502084 3.692047 -0.159833
C -1.206494 4.203830 0.094388
C 4.497538 0.793531 -0.645108
C -4.026723 -0.233024 0.833862
C -3.528304 -1.764170 -1.015140
C 4.174418 -1.966244 -0.151279
C 5.556498 -0.091250 -0.921797
C 5.386323 -1.472167 -0.678938
C -5.249309 -0.903887 1.054503
C -4.759108 -2.418361 -0.806730
C -5.623862 -1.989582 0.229353
C 1.487016 -2.777995 1.042410
C 0.123530 -2.742373 1.683775
H 0.641301 0.097106 -0.315396
H -3.656209 1.903133 -0.540956
H 0.912153 3.752507 0.326372
H -3.363838 4.362550 -0.234322
H -1.060721 5.280361 0.238139
H 4.604655 1.871205 -0.800732
H -3.732195 0.590778 1.492263
H -2.837963 -2.100158 -1.795781
H 4.047536 -3.028733 0.052870
H 6.501723 0.291321 -1.319737
H 6.199223 -2.175718 -0.889074
H -5.904902 -0.583805 1.871584
H -5.043226 -3.262742 -1.443896
H -6.576983 -2.503262 0.397071
H 0.088813 -1.983918 2.483634
H -0.116698 -3.736328 2.087697
H -0.621398 -2.455086 0.919649


