%chk=000002092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002092

0 1
 O    4.520000       2.286500      -1.126900    
 O    4.667600     -0.2061000     -0.5176000    
 O   -5.160700       1.644100     -0.1105000    
 O   -2.848100       3.059200      0.4984000    
 N    3.684800      6.0199998E-02   1.577000    
 N    1.014200      -2.866100     -0.2105000    
 N  -0.2563000     -0.9076000      2.4000000E-02
 N   -1.299400      -3.001600     -0.5535000    
 N   -3.623600      -3.131100     -0.8962000    
 C    3.966800       1.972300      0.1541000    
 C    2.502600       2.367800      0.1265000    
 C    2.169800       2.288300      -1.344200    
 C    3.463300       2.739700      -1.983700    
 C    4.159300      0.5009000      0.3485000    
 C    3.731100      -1.313300       1.997300    
 C    2.478200      -2.091300       1.599600    
 C    2.210200      -2.108000      9.5100001E-02
 C  -0.2449000      -2.228100     -0.2490000    
 C    1.126000      -4.283100     -0.4899000    
 C   -2.628700     -0.9967000     -0.3164000    
 C   -1.452000     -0.2935000     -1.0300000E-02
 C   -2.480400      -2.355600     -0.5794000    
 C   -3.873400     -0.3441000     -0.3495000    
 C   -1.560300       1.068800      0.2586000    
 C   -3.952300       1.018000     -7.6600000E-02
 C   -2.794400       1.724900      0.2277000    
 C   -5.904300       1.686100       1.106400    
 C   -1.615200       3.709100      0.8010000    
 H    4.524200       2.508300      0.9295000    
 H    1.839900       1.752000      0.7397000    
 H    2.398500       3.406800      0.4627000    
 H    1.312700       2.901900      -1.633500    
 H    1.956700       1.249100      -1.620700    
 H    3.519400       3.832300      -2.037000    
 H    3.602000       2.332200      -2.988700    
 H    3.840900      -1.318000       3.086600    
 H    4.619300      -1.789200       1.566900    
 H    1.613600      -1.655100       2.116300    
 H    2.570500      -3.120300       1.969100    
 H    3.289200      0.7347000       2.225500    
 H    2.133100      -1.095900     -0.3136000    
 H    3.071600      -2.558900     -0.4142000    
 H    2.156100      -4.638200     -0.3759000    
 H   0.8155000      -4.501700      -1.517300    
 H   0.5072000      -4.867300      0.2001000    
 H   -4.792700     -0.8693000     -0.5935000    
 H  -0.6300000       1.577400      0.4919000    
 H   -3.447800      -4.107300      -1.104500    
 H   -4.494200      -2.922000     -0.4241000    
 H   -6.144500      0.6729000       1.443600    
 H   -5.344200       2.217800       1.882200    
 H   -6.838000       2.223200      0.9189000    
 H  -0.9249000       3.683200     -4.9199998E-02
 H   -1.845100       4.763100      0.9894000    
 H   -1.164400       3.314900       1.718200    


%chk=000002092-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002092

0 1
O 1.796135 2.973427 -0.322211
O 4.351203 1.208608 0.187899
O -4.819932 1.738913 0.333128
O -2.313122 2.923365 0.878611
N 2.508471 -0.152870 0.615101
N 0.835912 -3.582341 0.021765
N -0.114830 -1.418038 0.208786
N -1.495257 -3.397743 -0.201706
N -3.796980 -3.307025 -0.462436
C 2.232648 1.708322 -0.974405
C 2.985510 2.183893 -2.234254
C 3.709723 3.480950 -1.768318
C 2.869200 3.983879 -0.560756
C 3.125975 0.900965 -0.008210
C 3.258923 -1.077570 1.482843
C 2.494688 -2.417106 1.574905
C 2.189216 -3.008152 0.163487
C -0.281761 -2.762762 0.010487
C 0.727197 -5.039490 -0.148227
C -2.583743 -1.216490 0.040877
C -1.278349 -0.647655 0.259215
C -2.615223 -2.645377 -0.211160
C -3.735378 -0.382571 0.108454
C -1.182600 0.747211 0.553343
C -3.636615 0.981811 0.385373
C -2.329536 1.556051 0.615258
C -5.156997 2.568581 1.510458
C -1.012803 3.553034 1.182414
H 1.304990 1.156191 -1.207174
H 3.693970 1.427605 -2.610241
H 2.247351 2.407688 -3.024706
H 3.759933 4.228358 -2.578649
H 4.729147 3.233320 -1.436038
H 2.350073 4.939680 -0.751620
H 3.488055 4.068018 0.350730
H 3.395906 -0.645288 2.493718
H 4.273613 -1.206943 1.058745
H 1.538749 -2.250527 2.102163
H 3.082292 -3.130772 2.180791
H 1.517932 -0.433105 0.412230
H 2.320620 -2.216303 -0.597308
H 2.905631 -3.812223 -0.078546
H 1.227176 -5.366468 -1.081542
H -0.336674 -5.307939 -0.200029
H 1.199136 -5.563736 0.704975
H -4.747683 -0.770298 -0.050382
H -0.194163 1.175159 0.738507
H -3.753794 -4.309570 -0.632332
H -4.687516 -2.823435 -0.516006
H -5.255387 1.934193 2.413163
H -4.394222 3.346206 1.674516
H -6.129193 3.022852 1.265419
H -0.287961 3.420047 0.360350
H -1.246823 4.618462 1.323567
H -0.588335 3.131309 2.113380


