%chk=000097272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097272

0 1
 O    8.025400       1.243500      -1.751300    
 O    4.450900       1.847000       1.751100    
 O    5.970100       1.025300      -2.688300    
 O    6.823900      -4.120800     -0.2174000    
 O    7.743000      -2.918000       1.472700    
 N    4.765100      0.8051000     -0.2970000    
 N   -1.637900      0.9058000      0.1084000    
 N   -6.025900       1.741800      3.4699999E-02
 N   -7.851400      0.4601000     -0.5866000    
 N   -7.766800      -1.946500     -0.5604000    
 N   -5.801000      -3.052700      0.1061000    
 N   -9.712400     -0.8230000      -1.219400    
 C    6.205900      0.8154000     -0.2735000    
 C    6.796000     -0.4263000      0.4059000    
 C    6.486100      -1.768400     -0.2694000    
 C   -2.540900      0.8556000       1.216300    
 C    2.524900       1.218500      0.5702000    
 C    3.997300       1.330000      0.7334000    
 C    6.686200       1.020700      -1.695400    
 C  -0.2399000       1.010000      0.2636000    
 C   -3.957900      0.7088000      0.7354000    
 C    1.700000       1.172900       1.694100    
 C    1.967300       1.160000     -0.7070000    
 C   0.3176000       1.068600       1.541000    
 C   0.5848000       1.055700     -0.8603000    
 C   -4.529500     -0.5362000      0.5401000    
 C   -5.854800     -0.6271000      9.0300001E-02
 C    7.080100      -2.962700      0.4457000    
 C   -4.744500       1.809500      0.4697000    
 C   -6.586900      0.5401000     -0.1571000    
 C   -6.498600      -1.842300     -0.1296000    
 C   -8.376100     -0.7704000     -0.7661000    
 H    6.516400       1.703500      0.2919000    
 H    6.437700     -0.4674000       1.443100    
 H    7.886400     -0.3147000      0.4690000    
 H    5.401600      -1.917500     -0.3131000    
 H    6.882200      -1.764100      -1.290900    
 H    4.321200      0.3195000      -1.069600    
 H   -2.467300       1.766900       1.823600    
 H   -2.308000      1.0400000E-02   1.876800    
 H   -1.995900      0.8707000     -0.8402000    
 H    2.116200       1.213100       2.697400    
 H    2.570100       1.224300      -1.607900    
 H  -0.2869000       1.036700       2.442300    
 H   0.1617000       1.018000      -1.860900    
 H   -3.932000      -1.419100      0.7487000    
 H   -4.366400       2.819200      0.5974000    
 H    8.333000       1.392400      -2.670800    
 H    7.222400      -4.895700      0.2332000    
 H   -6.332000      -3.902600     -4.5800000E-02
 H   -4.814700      -3.092800     -0.1174000    
 H   -10.15140      -1.720900      -1.369200    
 H   -10.21390      3.7900001E-02  -1.388700    


%chk=000097272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097272

0 1
O 8.290343 1.407658 -1.247264
O 4.469938 1.000381 2.053382
O 6.300280 1.380566 -2.441932
O 6.899259 -4.068888 -0.867975
O 7.634833 -3.247848 1.175466
N 4.837907 0.773020 -0.221447
N -1.704538 0.959507 0.044567
N -6.314251 1.863658 -0.086760
N -8.051496 0.366109 -0.618389
N -7.717189 -2.072335 -0.473039
N -5.709095 -3.032458 0.178783
N -9.752196 -1.145784 -1.135568
C 6.291639 0.807040 -0.035256
C 6.880355 -0.543088 0.478511
C 6.611170 -1.712353 -0.483248
C -2.684851 1.381632 1.059595
C 2.519461 0.898969 0.603235
C 3.989192 0.894287 0.875100
C 6.915876 1.225681 -1.360653
C -0.326058 0.957749 0.244106
C -4.097419 1.039709 0.622305
C 1.653192 1.258633 1.667663
C 1.933898 0.561118 -0.649754
C 0.259777 1.299761 1.501686
C 0.543213 0.585895 -0.828758
C -4.536476 -0.290079 0.501063
C -5.865112 -0.562404 0.085686
C 7.106906 -3.035758 0.062978
C -5.042991 2.067838 0.311689
C -6.751419 0.552151 -0.209220
C -6.440689 -1.894590 -0.072358
C -8.459848 -0.925504 -0.727949
H 6.538842 1.568722 0.731210
H 6.420986 -0.741248 1.461265
H 7.964689 -0.416324 0.640916
H 5.526137 -1.810961 -0.681343
H 7.086650 -1.558618 -1.471792
H 4.497334 0.872575 -1.181435
H -2.611767 2.473133 1.260137
H -2.450394 0.867270 2.013811
H -2.054601 0.843832 -0.907247
H 2.109923 1.511165 2.630551
H 2.554510 0.246543 -1.497675
H -0.370488 1.607963 2.341020
H 0.112890 0.310058 -1.799616
H -3.833005 -1.100149 0.733518
H -4.736666 3.120024 0.396102
H 8.667709 1.678256 -2.127846
H 7.227900 -4.925374 -0.480365
H -6.173322 -3.929894 0.050832
H -4.743971 -3.007093 0.491808
H -10.092376 -2.098961 -1.226379
H -10.344094 -0.343392 -1.334916


