%chk=000157209.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157209

0 1
 O    4.504900       1.946900      0.1380000    
 O    3.341800      -2.661000     -0.2687000    
 O    5.262500     -0.6786000     -9.9900000E-02
 O   -6.559100     -0.2107000      0.4559000    
 N  -0.5350000       2.120800     -0.1845000    
 C  -0.2744000      0.6805000      7.4000000E-03
 C    1.203800      0.3160000     -4.5600001E-02
 C    2.187200       1.318000      8.4299996E-02
 C    1.793600       2.767300      0.2137000    
 C   0.3429000       2.928600      0.6585000    
 C   -1.119900     -6.1700001E-02  -1.035600    
 C    1.618900      -1.022000     -0.1436000    
 C    3.547500      0.9772000      5.0999999E-02
 C   -2.567500     -0.1012000     -0.6393000    
 C    2.975200      -1.352700     -0.1636000    
 C    3.938800     -0.3536000     -7.2999999E-02
 C   -3.040700      -1.158100      0.1291000    
 C   -3.419400      0.9196000      -1.043900    
 C   -4.385400      -1.194800      0.4983000    
 C   -4.764000      0.8829000     -0.6748000    
 C   -5.247000     -0.1743000      9.6199997E-02
 C    2.292400      -3.622500     -0.3569000    
 C    5.888800     -0.9457000       1.152900    
 C   -6.985800      -1.320800       1.244100    
 H  -0.6097000      0.4067000       1.018500    
 H    2.434500       3.273400      0.9453000    
 H    1.941000       3.253800     -0.7588000    
 H   0.2225000       2.649500       1.713100    
 H   5.7300001E-02   3.983000      0.5733000    
 H   -1.501300       2.327700      6.4099997E-02
 H  -0.8005000      -1.097100      -1.193000    
 H   -1.010200      0.3990000      -2.028400    
 H   0.8437000      -1.777800     -0.1626000    
 H   -2.376800      -1.956400      0.4496000    
 H   -3.061100       1.743500      -1.654700    
 H    5.379700       1.532400      4.4700000E-02
 H   -4.693400      -2.044300       1.098100    
 H   -5.431100       1.679400     -0.9932000    
 H    1.685000      -3.479100      -1.257200    
 H    1.689300      -3.647300      0.5571000    
 H    2.765300      -4.606000     -0.4490000    
 H    5.442100      -1.826800       1.624200    
 H    5.807900     -8.2699999E-02   1.821300    
 H    6.947800      -1.147200      0.9699000    
 H   -6.874300      -2.266000      0.7018000    
 H   -8.055300      -1.187800       1.437500    
 H   -6.484800      -1.339200       2.217900    


%chk=000157209-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157209

0 1
O 4.329207 2.267005 -0.023413
O 3.810342 -2.518289 -0.262974
O 5.437885 -0.147191 -0.332951
O -6.800145 0.152972 -0.002315
N -0.686024 1.787089 0.280385
C -0.282052 0.371452 0.370515
C 1.236930 0.224383 0.183618
C 2.079902 1.365139 0.169911
C 1.546948 2.774125 0.360601
C 0.163416 2.730316 1.031396
C -1.094063 -0.440714 -0.693370
C 1.794343 -1.076554 0.062478
C 3.471736 1.159141 0.007317
C -2.599138 -0.319471 -0.505046
C 3.184157 -1.265568 -0.101827
C 4.035953 -0.132692 -0.117000
C -3.286853 -1.128568 0.432270
C -3.359522 0.627721 -1.245505
C -4.681000 -1.009974 0.638456
C -4.748115 0.761538 -1.057031
C -5.414618 -0.057565 -0.112023
C 2.943295 -3.695598 -0.336174
C 6.239753 -1.004595 0.570991
C -7.534290 -0.676100 0.954794
H -0.530268 -0.068238 1.374744
H 2.262083 3.365414 0.961548
H 1.457297 3.279306 -0.620458
H 0.282844 2.445394 2.106964
H -0.308238 3.729105 1.001565
H -1.691844 1.904389 0.448606
H -0.802621 -1.505416 -0.628007
H -0.793514 -0.070525 -1.689752
H 1.131835 -1.945694 0.093052
H -2.727379 -1.873844 1.012232
H -2.850965 1.264869 -1.977865
H 5.249416 1.912427 -0.178235
H -5.174848 -1.657953 1.369394
H -5.335226 1.487007 -1.628750
H 2.229352 -3.614102 -1.178233
H 2.387599 -3.848774 0.609556
H 3.623401 -4.543557 -0.506850
H 5.960322 -2.060990 0.433140
H 6.086946 -0.704488 1.625667
H 7.286429 -0.835254 0.274872
H -7.462253 -1.750943 0.696567
H -8.580984 -0.346549 0.877629
H -7.169730 -0.518787 1.989012


