%chk=000081289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081289

0 1
 O   -3.785700     -0.5462000      8.9999998E-04
 O   -3.223000       1.575700      1.9999999E-04
 N    2.858600      0.2795000      1.9999999E-04
 N    1.908600       1.234800      3.0000001E-04
 N   -2.920100      0.3598000       0.000000    
 C    1.023800     -0.8574000      1.9999999E-04
 C   0.7460000      0.5590000       0.000000    
 C    2.382600     -0.9992000      6.0000003E-04
 C  -0.5808000       1.027600     -5.0000002E-04
 C   0.1011000      -1.895700     -9.9999997E-05
 C   -1.544100     -5.1000002E-03 -8.9999998E-04
 C   -1.216900      -1.397900     -6.9999998E-04
 C    4.250100      0.6651000     -3.0000001E-04
 H    3.034700      -1.862400      6.9999998E-04
 H  -0.8111000       2.085100     -3.9999999E-04
 H   0.3353000      -2.951000       0.000000    
 H   -2.007700      -2.148800     -7.9999998E-04
 H    4.442500       1.256200     -0.8991000    
 H    4.442900       1.256500      0.8982000    
 H    4.877800     -0.2294000     -1.9999999E-04


%chk=000081289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081289

0 1
O -3.908079 -0.500331 0.000101
O -3.229512 1.676932 -0.000289
N 2.929069 0.277791 -0.000118
N 1.924608 1.229593 -0.000273
N -2.986670 0.407454 -0.000078
C 1.065500 -0.960591 -0.000096
C 0.767433 0.464772 -0.000155
C 2.477829 -1.029252 -0.000140
C -0.570692 0.937033 -0.000150
C 0.003091 -1.916356 -0.000013
C -1.572618 -0.039465 -0.000082
C -1.311559 -1.453562 -0.000007
C 4.322210 0.738907 -0.000047
H 3.161209 -1.874078 -0.000099
H -0.819384 2.000684 -0.000231
H 0.212572 -2.990615 0.000026
H -2.164216 -2.136344 0.000049
H 4.509092 1.352348 -0.895978
H 4.508955 1.352522 0.895794
H 4.995764 -0.131243 0.000086


