%chk=000097078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097078

0 1
 O    2.813800      0.6208000      0.9999000    
 O    2.366400      -2.246300      -1.121500    
 O    4.451600      -1.918400      0.5901000    
 O    4.457100       2.835200      0.4917000    
 N   0.6762000      0.1697000      7.4000001E-02
 N  -0.8465000       1.673400     -0.5572000    
 N  -0.7646000      -1.753000      0.4338000    
 N   -3.796500      0.9616000     -0.7464000    
 N   -3.099000      -1.212600     -2.9800000E-02
 C    2.751700     -0.9276000     -0.7910000    
 C    1.981600     -0.3952000      0.4079000    
 C    4.181800     -0.8329000     -0.2971000    
 C    4.163800      0.4647000      0.5047000    
 C    4.511100       1.686000     -0.3351000    
 C  -0.5287000     -0.4755000      9.9299997E-02
 C   0.4317000       1.458000     -0.3260000    
 C   -1.458400      0.4733000     -0.2953000    
 C   -2.787200      6.5200001E-02 -0.3546000    
 C   -2.083300      -2.030200      0.3388000    
 C   -5.179600      0.5953000     -0.8249000    
 C   -5.825900      0.8641000      0.4960000    
 C   -6.417000     -7.5400002E-02   1.243000    
 H    2.609200     -0.2896000      -1.670900    
 H    1.807700      -1.167600       1.167200    
 H    4.922400     -0.8654000      -1.101100    
 H    4.816200      0.4199000       1.384000    
 H    3.804600       1.834700      -1.157700    
 H    5.520800       1.605700     -0.7483000    
 H    2.545500      -2.813600     -0.3524000    
 H    5.357700      -1.801800      0.9236000    
 H    1.216800       2.193400     -0.4371000    
 H    3.556700       2.893100      0.8547000    
 H   -2.369400      -3.045500      0.5918000    
 H   -3.522400       1.912800     -0.9657000    
 H   -5.668800       1.225300      -1.576800    
 H   -5.315400     -0.4403000      -1.158400    
 H   -5.824300       1.889300      0.8586000    
 H   -6.875200      0.1842000       2.191100    
 H   -6.452800      -1.111800      0.9263000    


%chk=000097078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097078

0 1
O 2.628176 0.535396 0.895870
O 2.775283 -1.932555 -1.858753
O 4.512870 -2.009353 0.131495
O 4.223802 2.760433 1.424933
N 0.666182 0.016209 -0.358766
N -0.971908 1.347843 -1.260235
N -0.769287 -1.717849 0.706074
N -3.942656 0.587769 -0.922282
N -3.164252 -1.279763 0.338076
C 2.977595 -0.705328 -1.130829
C 1.967092 -0.478921 0.033619
C 4.339770 -0.641669 -0.387500
C 4.113257 0.398169 0.733113
C 4.648640 1.802092 0.410046
C -0.558754 -0.581369 -0.016361
C 0.350231 1.170678 -1.100343
C -1.550936 0.252039 -0.588816
C -2.910716 -0.139752 -0.390341
C -2.103518 -1.988727 0.833128
C -5.367347 0.286943 -0.678334
C -5.959187 1.123410 0.446898
C -6.465091 0.603562 1.591628
H 2.897965 0.112563 -1.867032
H 1.801316 -1.417735 0.595423
H 5.175792 -0.370185 -1.060738
H 4.520476 0.048238 1.700738
H 4.308395 2.113570 -0.603055
H 5.752580 1.813042 0.433557
H 3.177892 -2.661523 -1.311740
H 5.404980 -2.125001 0.538544
H 1.113505 1.850455 -1.470477
H 3.245863 2.641248 1.553717
H -2.359501 -2.886028 1.404500
H -3.682596 1.433491 -1.434359
H -5.920992 0.466789 -1.620672
H -5.437674 -0.784257 -0.430418
H -5.959716 2.213756 0.294897
H -6.886916 1.242350 2.376160
H -6.461215 -0.477029 1.777836


