%chk=000164113.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164113

0 1
 O    7.329100      0.4350000      0.3394000    
 O    5.744700      3.2099999E-02   1.912200    
 N   -1.888200       2.555000     -0.2066000    
 N   -1.818200       3.697400     -0.2604000    
 C   -1.396800     -0.9768000     -0.2111000    
 C  -0.8672000      0.3161000     -0.3852000    
 C   -2.802800     -0.8749000      0.1321000    
 C    1.272200     -0.5596000     -0.8822000    
 C    2.709000     -0.3723000      -1.242200    
 C   -3.171600      0.4832000      0.1774000    
 C   -1.968000       1.247300     -0.1451000    
 C   0.4505000      0.5559000     -0.7176000    
 C    3.668600     -0.2449000     -4.3200001E-02
 C  -0.5771000      -2.079300     -0.3757000    
 C   0.7646000      -1.862500     -0.7133000    
 C   -3.748300      -1.849200      0.3984000    
 C   -4.448600      0.9112000      0.4782000    
 C    5.130800     -2.5200000E-02 -0.4428000    
 C   -5.051900      -1.440600      0.7063000    
 C   -5.397500     -7.5800002E-02  0.7456000    
 C    6.066700      0.1278000      0.7360000    
 H    2.808100      0.5193000      -1.876000    
 H    3.036300      -1.207800      -1.875300    
 H   0.8284000       1.564200     -0.8426000    
 H    3.341600      0.5864000      0.5953000    
 H    3.595000      -1.147100      0.5780000    
 H  -0.9502000      -3.090000     -0.2490000    
 H    1.417700      -2.722900     -0.8427000    
 H   -3.500500      -2.905000      0.3729000    
 H    5.478600     -0.8754000      -1.039900    
 H    5.203900      0.8845000      -1.049600    
 H   -4.712800       1.961400      0.5081000    
 H   -5.811500      -2.188700      0.9190000    
 H   -6.417900      0.2095000      0.9879000    
 H    7.933300      0.5542000       1.103100    


%chk=000164113-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164113

0 1
O 7.422043 0.241758 0.386776
O 5.816341 -0.370616 1.947993
N -2.042360 2.612200 -0.402722
N -2.017742 3.790303 -0.536725
C -1.396231 -0.937624 -0.186851
C -0.925351 0.394390 -0.450167
C -2.820137 -0.872894 0.173058
C 1.310352 -0.449681 -0.938088
C 2.772416 -0.218225 -1.291791
C -3.241623 0.502081 0.134054
C -2.068165 1.300016 -0.254411
C 0.411559 0.640103 -0.823450
C 3.694414 -0.246324 -0.042283
C -0.499363 -2.020121 -0.306201
C 0.839248 -1.769674 -0.678173
C -3.747912 -1.877305 0.521669
C -4.568281 0.870398 0.437951
C 5.168082 -0.006266 -0.420195
C -5.078924 -1.509483 0.827139
C -5.484600 -0.149340 0.785494
C 6.106326 -0.074736 0.768948
H 2.888200 0.757611 -1.803268
H 3.115491 -0.995013 -2.004651
H 0.765158 1.658318 -1.026248
H 3.362525 0.520124 0.682351
H 3.595146 -1.218116 0.475306
H -0.834615 -3.045671 -0.116004
H 1.537909 -2.609555 -0.776238
H -3.444800 -2.929569 0.557310
H 5.513947 -0.753303 -1.162824
H 5.304103 0.979205 -0.906844
H -4.891518 1.916813 0.409079
H -5.807454 -2.280758 1.099731
H -6.520516 0.113263 1.026097
H 8.016334 0.180192 1.183579


