%chk=000182560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182560

0 1
O 4.350349 0.983298 0.924259
O 4.628776 0.139651 -1.275103
N -1.328927 0.576112 1.348401
N -2.566482 3.634704 -0.479598
C -0.498249 -0.584119 0.929218
C -1.103248 -1.272192 -0.313087
C 0.930184 -0.300385 0.469561
C 1.094730 -0.806483 -0.849239
C -2.518799 -1.722262 -0.323010
C -0.175448 -1.398378 -1.290463
C -1.272106 1.715740 0.375677
C 1.965007 0.324766 1.171651
C -2.713175 -3.056656 0.416174
C 2.312025 -0.714900 -1.543586
C -0.977942 1.022108 2.729249
C -2.649747 2.414084 0.388599
C 3.160381 0.414330 0.478206
C 3.328087 -0.091646 -0.841343
C -2.055815 -4.233027 -0.317854
C 5.306688 0.828224 -0.173474
C -2.266148 -5.550110 0.424868
C -2.649845 3.272842 -1.926305
C -3.651898 4.599635 -0.128871
H -0.476273 -1.329327 1.768836
H -2.893069 -1.808724 -1.363421
H -3.150713 -0.942321 0.162997
H -0.294194 -1.855249 -2.256033
H -1.051981 1.334927 -0.645531
H -0.469306 2.449680 0.604169
H 1.843680 0.712482 2.178100
H -3.797555 -3.247500 0.535084
H -2.308989 -2.978061 1.443963
H 2.443860 -1.101249 -2.547917
H 0.061966 1.363410 2.852589
H -1.163317 0.197780 3.435599
H -1.643915 1.853043 3.015552
H -2.898920 2.723628 1.426485
H -3.441079 1.699461 0.080222
H -0.971020 -4.038517 -0.439577
H -2.462979 -4.311565 -1.344525
H 5.584974 1.830785 -0.523616
H 6.121231 0.181299 0.177106
H -1.792450 -6.383164 -0.106857
H -3.329956 -5.790900 0.529835
H -1.835732 -5.519151 1.432281
H -1.823419 2.586898 -2.174489
H -2.505243 4.182680 -2.530352
H -3.593678 2.799422 -2.232517
H -3.518770 4.923066 0.915842
H -4.674076 4.212637 -0.247164
H -3.548377 5.498594 -0.757691


%chk=000182560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182560

0 1
O 4.534157 0.814847 0.962361
O 4.899605 0.092944 -1.292915
N -1.260999 0.415013 1.181517
N -2.736430 3.629260 -0.245970
C -0.418129 -0.686155 0.651888
C -0.985690 -1.292360 -0.649027
C 1.046622 -0.383271 0.271854
C 1.266163 -0.814452 -1.074272
C -2.427271 -1.711575 -0.756769
C 0.002106 -1.366498 -1.597469
C -1.314604 1.626498 0.326452
C 2.084941 0.182774 1.045486
C -2.838362 -2.819407 0.257188
C 2.533460 -0.694215 -1.703829
C -1.072719 0.708996 2.614656
C -2.713943 2.283401 0.372650
C 3.324494 0.315185 0.402404
C 3.540067 -0.110282 -0.926842
C -2.110867 -4.164903 0.041515
C 5.472860 0.900031 -0.185306
C -2.542181 -5.244441 1.057868
C -2.468277 3.607114 -1.698602
C -3.981355 4.359166 0.067403
H -0.418509 -1.479289 1.431319
H -2.642965 -2.057051 -1.786910
H -3.066475 -0.825933 -0.561296
H -0.116049 -1.777264 -2.604431
H -1.074202 1.320201 -0.707358
H -0.558186 2.387368 0.629511
H 1.951939 0.496116 2.083469
H -3.932954 -2.979348 0.178465
H -2.652118 -2.452068 1.286492
H 2.721220 -1.035703 -2.725042
H -0.130895 1.265085 2.841756
H -1.067499 -0.234128 3.190222
H -1.911890 1.322756 2.988316
H -3.021250 2.399859 1.429187
H -3.452118 1.585252 -0.102510
H -1.015857 -4.006203 0.104672
H -2.310139 -4.523614 -0.989204
H 5.549818 1.955807 -0.511173
H 6.441019 0.468022 0.109821
H -2.011911 -6.198975 0.884786
H -3.628605 -5.443741 0.989211
H -2.327184 -4.921730 2.094394
H -1.469890 3.183830 -1.900118
H -2.478576 4.640195 -2.089836
H -3.222097 3.010270 -2.275206
H -4.105474 4.430758 1.162885
H -4.900552 3.875487 -0.353358
H -3.923150 5.385772 -0.337409


