%chk=000184574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184574

0 1
O 5.371385 -1.374986 0.000679
O 5.121422 0.768352 -0.001885
O -5.938918 -0.686689 -0.000106
O -5.343466 1.393260 0.001038
N 4.679930 -0.367699 -0.000379
N -5.100028 0.198609 0.000055
C 0.956926 0.220101 -0.000097
C 0.451340 -1.129518 -0.000191
C -0.114313 1.187120 -0.000035
C -1.363620 0.399546 -0.000049
C -1.022958 -1.008049 -0.000162
C 2.312860 0.560447 -0.000239
C 1.340908 -2.172037 -0.000347
C 0.197476 2.518658 -0.000123
C 3.211120 -0.562630 -0.000402
C -2.683252 0.800175 0.000098
C -2.008100 -1.977735 -0.000127
C 2.604294 1.965283 -0.000206
C 2.734648 -1.866494 -0.000412
C 1.584115 2.888557 -0.000199
C -3.673930 -0.210599 0.000040
C -3.356509 -1.569562 -0.000059
H 1.023125 -3.213620 -0.000414
H -0.563561 3.296847 -0.000076
H -2.975490 1.855111 0.000216
H -1.759960 -3.039137 -0.000164
H 3.652890 2.286696 -0.000307
H 3.449970 -2.702443 -0.000405
H 1.821543 3.955403 -0.000292
H -4.158545 -2.317970 -0.000150


%chk=000184574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184574

0 1
O 5.433226 -1.485834 0.000260
O 5.218311 0.776999 -0.000628
O -6.017726 -0.745025 0.000766
O -5.395071 1.450025 0.000853
N 4.712780 -0.412729 -0.000461
N -5.123623 0.186681 0.000013
C 0.962350 0.231754 -0.000292
C 0.450406 -1.109008 -0.000296
C -0.109521 1.182347 -0.000194
C -1.367967 0.399130 -0.000136
C -1.023231 -1.004027 -0.000206
C 2.342865 0.581547 -0.000377
C 1.353916 -2.177804 -0.000346
C 0.197454 2.544041 -0.000154
C 3.232627 -0.558757 -0.000424
C -2.710210 0.802614 -0.000043
C -2.026270 -1.991943 -0.000183
C 2.632450 1.993695 -0.000335
C 2.747505 -1.881828 -0.000398
C 1.580542 2.924341 -0.000223
C -3.694506 -0.216045 -0.000021
C -3.382027 -1.595230 -0.000094
H 1.025081 -3.221270 -0.000347
H -0.579272 3.315516 -0.000071
H -3.022726 1.849600 0.000004
H -1.770958 -3.056053 -0.000238
H 3.667739 2.334075 -0.000462
H 3.484388 -2.689635 -0.000385
H 1.829681 3.990924 -0.000201
H -4.196911 -2.323102 -0.000081


