%chk=000177462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177462

0 1
 O    1.898800       1.847500     -0.4134000    
 O   0.9924000       1.879700       1.711200    
 O   -4.160100     -9.5600002E-02 -0.6055000    
 O   -4.068700     -0.8355000       1.555000    
 N   -2.208700      0.1685000      0.5892000    
 C   0.7125000     -6.0899999E-02  0.2869000    
 C  -6.7299999E-02 -0.6552000       1.493200    
 C  -0.2655000      8.0300003E-02 -0.9135000    
 C   -1.382900      6.9899999E-02   1.786300    
 C   -1.563500      0.8074000     -0.5566000    
 C    1.951500     -0.9220000     -1.5300000E-02
 C    1.203200       1.329700      0.6387000    
 C    2.920300      -1.108700      0.9668000    
 C    2.096500      -1.509900      -1.268800    
 C   -3.525700     -0.2982000      0.5915000    
 C    4.043400      -1.889400      0.6930000    
 C    3.219500      -2.290800      -1.542300    
 C    4.192900      -2.480400     -0.5614000    
 C    2.422000       3.164800     -0.2161000    
 C   -5.516400     -0.5487000     -0.6860000    
 C    3.161900       3.593800      -1.465300    
 C   -6.056000     -0.2464000      -2.067700    
 H  -0.2942000      -1.709900       1.281800    
 H   0.5371000     -0.6481000       2.408700    
 H   0.1989000      0.5959000      -1.763500    
 H  -0.5580000     -0.9193000      -1.264000    
 H   -1.919200     -0.4706000       2.573700    
 H   -1.226900       1.085700       2.160700    
 H   -1.368900       1.851600     -0.2865000    
 H   -2.222800      0.8196000      -1.429000    
 H    2.828800     -0.6524000       1.948300    
 H    1.378300      -1.390000      -2.071300    
 H    4.802400      -2.035600       1.456000    
 H    3.338000      -2.749600      -2.519700    
 H    5.067800      -3.087500     -0.7748000    
 H    3.108500       3.160500      0.6379000    
 H    1.597600       3.858600     -1.7100001E-02
 H   -5.551600      -1.628400     -0.5031000    
 H   -6.119400     -3.0999999E-02  6.8200000E-02
 H    3.576200       4.599000      -1.349000    
 H    3.977800       2.898000      -1.687500    
 H    2.492100       3.584900      -2.331500    
 H   -5.451600     -0.7423000      -2.834300    
 H   -6.009700      0.8283000      -2.272700    
 H   -7.092900     -0.5803000      -2.164600    


%chk=000177462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177462

0 1
O 1.632796 1.997967 -0.459570
O 1.598909 1.603807 1.827505
O -4.083736 0.025104 -0.679886
O -4.072677 -0.651453 1.573126
N -2.141852 0.214207 0.552497
C 0.774438 -0.166828 0.275567
C -0.036522 -0.729109 1.488864
C -0.180204 -0.056631 -0.946812
C -1.319438 0.082401 1.772204
C -1.445018 0.767955 -0.624798
C 2.008027 -1.069818 0.002494
C 1.351523 1.218577 0.659484
C 2.974639 -1.255333 1.028018
C 2.205177 -1.730192 -1.235835
C -3.464394 -0.172729 0.575245
C 4.098039 -2.083603 0.823962
C 3.328998 -2.563480 -1.440372
C 4.279759 -2.746241 -0.412358
C 2.307928 3.309356 -0.196251
C -5.518945 -0.368270 -0.729672
C 2.516891 3.976317 -1.551192
C -5.988279 -0.123973 -2.161112
H -0.301723 -1.778620 1.261571
H 0.590594 -0.723872 2.396594
H 0.341747 0.404904 -1.802601
H -0.494645 -1.077439 -1.236354
H -1.932293 -0.412682 2.542079
H -1.048031 1.091006 2.144410
H -1.160280 1.821451 -0.419206
H -2.136440 0.764313 -1.479040
H 2.856059 -0.736436 1.986541
H 1.489257 -1.600882 -2.052488
H 4.831568 -2.210430 1.628145
H 3.460482 -3.067343 -2.404788
H 5.150790 -3.391477 -0.571991
H 3.257783 3.103725 0.329397
H 1.662925 3.901910 0.477440
H -5.607007 -1.429063 -0.432764
H -6.077688 0.238744 0.005694
H 3.020344 4.950644 -1.413498
H 3.146175 3.349717 -2.205775
H 1.552927 4.153375 -2.058381
H -5.410452 -0.735630 -2.875433
H -5.873970 0.938203 -2.438364
H -7.055779 -0.395153 -2.255694


