%chk=000150620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150620

0 1
 O   0.1114000       1.406100      0.9207000    
 O   0.5459000      -1.918000     -0.3510000    
 O    2.564700     -0.4612000      0.7407000    
 O    1.384900       2.273400      -2.023200    
 O   -2.124700      -1.982900       1.552300    
 O    1.878300      -1.922500      -2.238200    
 O    4.218800       1.137300      0.5258000    
 O   -5.744900      0.2110000     -0.2713000    
 N   -1.757900      6.9399998E-02  0.4979000    
 N   0.6606000       3.755100     -0.4188000    
 N   -3.926200     -0.8892000      0.6429000    
 C   0.4480000     -0.5103000     -0.4133000    
 C    1.783500      0.1894000     -0.2587000    
 C  -0.3452000      5.6200001E-02  0.7493000    
 C    1.372900       1.559100      0.2540000    
 C    1.142500       2.541400     -0.8489000    
 C   -2.562200      -1.004700      0.9427000    
 C   -2.329700       1.137400     -0.1815000    
 C    1.296400      -2.501900      -1.331100    
 C    3.769400      0.1218000       1.039300    
 C   -3.631500       1.233400     -0.4599000    
 C   -4.542800      0.1536000     -3.0999999E-02
 C    1.311200      -3.988100      -1.138800    
 C    4.476400     -0.6658000       2.100300    
 H  -1.8500000E-02 -0.2189000      -1.364800    
 H    2.367900      0.2107000      -1.183600    
 H  -0.1407000     -0.4947000       1.675600    
 H    2.053800       2.012400      0.9786000    
 H   -1.669600       1.925900     -0.5206000    
 H   0.4702000       4.504600      -1.075400    
 H   0.4710000       3.945500      0.5600000    
 H   -4.524600      -1.649800      0.9528000    
 H   -4.042000       2.077700      -1.000000    
 H   0.2923000      -4.379400      -1.196500    
 H    1.763700      -4.231800     -0.1743000    
 H    1.907400      -4.450500      -1.930800    
 H    4.663100      -1.681900       1.743900    
 H    3.873700     -0.6819000       3.011800    
 H    5.436700     -0.1927000       2.324600    


%chk=000150620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150620

0 1
O 0.172193 1.455687 1.086305
O 0.677701 -1.826173 -0.414805
O 2.635205 -0.391606 0.899201
O 2.009957 2.849113 -1.766562
O -2.103909 -1.335517 2.351692
O 1.581920 -1.765694 -2.562247
O 4.513447 0.971820 0.655183
O -5.795623 0.079474 -0.142262
N -1.713923 0.071785 0.489665
N 0.108394 3.554591 -0.602673
N -3.912505 -0.602361 1.062785
C 0.616616 -0.363839 -0.430103
C 1.948111 0.371961 -0.168077
C -0.273935 0.072767 0.756824
C 1.448426 1.733804 0.357137
C 1.219764 2.758621 -0.785970
C -2.550731 -0.673585 1.380651
C -2.253213 0.832146 -0.551573
C 1.194946 -2.434270 -1.582506
C 3.956316 0.001925 1.207610
C -3.595791 0.880250 -0.819487
C -4.543201 0.125500 0.002836
C 1.190998 -3.934298 -1.428917
C 4.533148 -0.911130 2.262467
H 0.229917 -0.020568 -1.408552
H 2.596074 0.484354 -1.050790
H -0.111524 -0.587066 1.625040
H 2.160350 2.169384 1.077874
H -1.532955 1.413215 -1.134173
H -0.070054 4.316838 -1.256156
H -0.479966 3.421504 0.221487
H -4.533723 -1.137935 1.678399
H -3.991195 1.478547 -1.640476
H 0.170390 -4.293631 -1.212370
H 1.826018 -4.226157 -0.574509
H 1.565902 -4.402887 -2.349575
H 4.614638 -1.939094 1.867904
H 3.867353 -0.950680 3.141348
H 5.528664 -0.551596 2.558874


