%chk=000056958.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056958

0 1
 O   0.3610000     -0.9742000       1.135500    
 O   -1.010700      -2.266800     -0.1861000    
 N    3.256700      -2.640700     -0.4375000    
 C    2.257400      -1.593900     -0.2266000    
 C    1.400700      -1.937900      0.9989000    
 C    2.913400     -0.2299000     -0.1006000    
 C   -1.845900     -0.1771000      0.7689000    
 C   -1.399900       1.220800      0.3616000    
 C   -3.227900     -0.5160000      0.2249000    
 C  -0.8114000      -1.261800      0.4845000    
 C    4.192700      -2.687300      0.6852000    
 C    3.974100      -2.417300      -1.692200    
 C    3.169500      0.4987000      -1.246100    
 C    3.235700      0.2454000       1.155800    
 C   -1.877100       2.304600       1.069200    
 C   -3.552700     -0.1249000      -1.057200    
 C  -0.5325000       1.360100     -0.7020000    
 C   -4.110600      -1.203600       1.031500    
 C    3.771900       1.751500      -1.130600    
 C    3.837900       1.498400       1.271100    
 C    4.105900       2.251400      0.1279000    
 C   -1.468600       3.585200      0.6964000    
 C   -4.818100     -0.4351000      -1.555400    
 C  -0.1239000       2.640600      -1.074600    
 C   -5.375900      -1.513800      0.5331000    
 C  -0.5921000       3.753200     -0.3754000    
 C   -5.729500      -1.129700     -0.7603000    
 H    1.574000      -1.562800      -1.087100    
 H    1.923600      -1.961000       1.957300    
 H   0.9786000      -2.947000      0.8938000    
 H   -1.926600     -0.1699000       1.867900    
 H    4.869200      -3.538600      0.5308000    
 H    3.719100      -2.896300       1.647500    
 H    4.842600      -1.811300      0.7768000    
 H    4.548900      -3.319700      -1.934900    
 H    4.695500      -1.594400      -1.661800    
 H    3.285200      -2.273200      -2.532200    
 H    2.894900      0.1354000      -2.231500    
 H    3.069900     -0.3012000       2.075400    
 H   -2.560300       2.182900       1.904300    
 H   -2.864400      0.3944000      -1.713700    
 H  -0.1704000      0.5143000      -1.277100    
 H   -3.843500      -1.509400       2.038500    
 H    3.975000       2.340500      -2.020200    
 H    4.101900       1.886900       2.250500    
 H    4.573900       3.227300      0.2178000    
 H   -1.833400       4.451600       1.240400    
 H   -5.092000     -0.1412000      -2.564500    
 H   0.5539000       2.772400      -1.912900    
 H   -6.085400      -2.055600       1.151700    
 H  -0.2749000       4.750300     -0.6665000    
 H   -6.714200      -1.372700      -1.148800    


%chk=000056958-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056958

0 1
O 0.193072 -1.113614 0.705445
O -0.494575 -1.040070 -1.520150
N 3.387665 -2.682231 -0.624692
C 2.461093 -1.551966 -0.290609
C 1.195208 -2.162204 0.351615
C 3.109827 -0.417234 0.514987
C -1.607005 0.387827 0.199581
C -1.572408 1.729812 -0.546831
C -3.005585 -0.266783 0.212190
C -0.599574 -0.635282 -0.338919
C 4.107320 -3.295398 0.513055
C 4.295225 -2.386231 -1.753046
C 3.663534 0.692200 -0.175229
C 3.236109 -0.459080 1.928278
C -1.843344 2.908191 0.195606
C -3.772315 -0.400645 -0.971809
C -1.320583 1.842804 -1.937990
C -3.525019 -0.769695 1.430787
C 4.331267 1.726015 0.518887
C 3.900955 0.571643 2.627951
C 4.454481 1.667927 1.926021
C -1.866775 4.172047 -0.432780
C -5.038835 -1.023964 -0.933504
C -1.339361 3.109120 -2.566220
C -4.793711 -1.391256 1.470442
C -1.614093 4.277406 -1.820260
C -5.555050 -1.520283 0.286555
H 2.143368 -1.136842 -1.265065
H 1.393442 -2.659738 1.313517
H 0.747757 -2.873491 -0.361923
H -1.318550 0.569994 1.248761
H 4.600123 -4.219757 0.160750
H 3.401796 -3.580293 1.312260
H 4.887194 -2.635113 0.960276
H 4.809308 -3.316478 -2.057169
H 5.076772 -1.625137 -1.514064
H 3.709137 -2.023720 -2.616131
H 3.556252 0.753730 -1.265812
H 2.798592 -1.290391 2.493724
H -2.040717 2.833850 1.272286
H -3.381189 -0.015164 -1.918791
H -1.096015 0.943228 -2.520248
H -2.932725 -0.677326 2.349540
H 4.743911 2.577406 -0.034182
H 3.981748 0.524181 3.720040
H 4.966678 2.469840 2.469529
H -2.077244 5.070692 0.158093
H -5.624076 -1.121636 -1.854878
H -1.138714 3.181246 -3.641389
H -5.185360 -1.772316 2.420378
H -1.628489 5.257022 -2.311216
H -6.539319 -2.001243 0.313754


