%chk=000096932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096932

0 1
 O   -2.839600       2.550400     -0.9014000    
 O   -4.840400       1.458100      0.6836000    
 O   0.6659000      -1.301900      -2.692100    
 O    3.155800      0.4951000       2.378300    
 O    5.212300       1.357300      0.7183000    
 N  -0.2563000      -2.901300     -0.2200000    
 C   -1.503900     -0.8166000     -0.3306000    
 C   -2.518200      -1.375200      0.4745000    
 C  -0.4081000      -1.624900     -0.6396000    
 C   -1.623900      0.5063000     -0.7872000    
 C   -3.636200     -0.5925000      0.8061000    
 C   -2.740900       1.269400     -0.4480000    
 C   0.6997000      -1.153800      -1.463800    
 C   -3.744900      0.7211000      0.3468000    
 C    1.898900     -0.4860000     -0.8797000    
 C   -2.380000      -2.695200      0.9192000    
 C   -1.246600      -3.402600      0.5485000    
 C    1.958200     -0.3107000      0.4844000    
 C    2.901100     -7.0799999E-02  -1.727400    
 C    3.079800      0.3135000       1.030300    
 C    4.111800      0.7461000      0.1975000    
 C    4.022500      0.5539000      -1.181400    
 C   -3.484600       2.745100      -2.158400    
 C   -4.762700       2.222300       1.885100    
 C    2.058800      2.4200000E-02   3.158500    
 C    6.221400       1.768900     -0.2016000    
 H  -0.8565000      0.9601000      -1.410100    
 H   -4.429200      -1.007400       1.425700    
 H   -3.134900      -3.167000       1.540700    
 H   -1.103300      -4.427900      0.8736000    
 H    1.141500     -0.6604000       1.100600    
 H    2.852700     -0.2098000      -2.802900    
 H    4.784700      0.8634000      -1.888100    
 H   -2.938700       2.227500      -2.953500    
 H   -3.490600       3.816200      -2.378200    
 H   -4.519200       2.389900      -2.119900    
 H   -5.707400       2.758000       2.012100    
 H   -3.950700       2.953900       1.825000    
 H   -4.613800       1.565500       2.748200    
 H    1.949900      -1.063500       3.088700    
 H    1.131800      0.5548000       2.915200    
 H    2.287700      0.2520000       4.205000    
 H    5.849400       2.531400     -0.8944000    
 H    6.666400      0.9138000     -0.7220000    
 H    7.020700       2.235000      0.3842000    


%chk=000096932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096932

0 1
O -3.846488 2.575119 -1.312343
O -5.771510 1.050816 0.249682
O 0.346773 0.380521 -2.158839
O 4.396908 -0.559404 2.384299
O 6.117863 0.536208 0.702215
N 0.005024 -1.922465 0.449814
C -1.727121 -0.270442 -0.132642
C -2.703762 -1.036140 0.621874
C -0.369365 -0.781657 -0.180793
C -2.156141 0.936509 -0.774082
C -4.045677 -0.555911 0.737036
C -3.474173 1.375978 -0.664853
C 0.695101 -0.101815 -1.029211
C -4.432082 0.636016 0.127129
C 2.105458 0.014291 -0.559309
C -2.278574 -2.250013 1.249512
C -0.945097 -2.644687 1.142290
C 2.543505 -0.379489 0.739156
C 3.043202 0.596386 -1.450331
C 3.879226 -0.195505 1.136016
C 4.818423 0.394359 0.225362
C 4.382730 0.783181 -1.065102
C -4.784170 2.388897 -2.447422
C -5.976068 2.383703 0.871198
C 3.470366 -1.193819 3.325714
C 7.111333 1.133161 -0.197733
H -1.463470 1.508550 -1.393647
H -4.784970 -1.110880 1.323808
H -2.994788 -2.858425 1.811951
H -0.584157 -3.566700 1.610137
H 1.829425 -0.858528 1.409282
H 2.694985 0.900272 -2.442079
H 5.087921 1.232399 -1.770358
H -4.298311 1.791482 -3.241067
H -4.998860 3.402325 -2.818271
H -5.714216 1.892724 -2.114719
H -7.058587 2.569044 0.806434
H -5.411197 3.162938 0.331067
H -5.661389 2.352266 1.931187
H 3.055043 -2.132510 2.910167
H 2.640965 -0.511476 3.596574
H 4.077572 -1.414099 4.215756
H 6.831727 2.167941 -0.474048
H 7.241267 0.523577 -1.112414
H 8.045754 1.141001 0.381403


