%chk=000075505.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075505

0 1
 O   2.7999999E-03 -3.7599999E-02 -1.3000000E-03
 N   0.6954000      -2.164900      3.9999999E-04
 N  -0.6870000      -2.165700       0.000000    
 N    6.176900       1.442100      7.9999998E-04
 N   -6.180500       1.439400      6.9999998E-04
 C    2.357600     -0.3053000     -3.9999999E-04
 C   -2.351700     -0.3078000     -1.9999999E-04
 C    1.046200     -0.9058000     -5.0000002E-04
 C   -1.047300     -0.9035000     -7.9999998E-04
 C    2.489100       1.083300     -8.9999998E-04
 C   -2.492200       1.084100     -1.9999999E-04
 C    3.494500      -1.113600      5.0000002E-04
 C   -3.495600      -1.113600      9.9999997E-05
 C    4.894400      0.8555000      3.0000001E-04
 C   -4.897300      0.8540000      5.0000002E-04
 C    3.757500       1.663700     -6.0000003E-04
 C   -3.761300       1.663300      9.9999997E-05
 C    4.762900     -0.5331000      1.0000000E-03
 C   -4.764400     -0.5345000      3.9999999E-04
 H    1.627100       1.745700     -1.6000000E-03
 H   -1.631100       1.748100     -5.0000002E-04
 H    3.415500      -2.198000      1.0000000E-03
 H   -3.416800      -2.198400       0.000000    
 H    3.847300       2.747100     -1.0000000E-03
 H   -3.852100       2.746600       0.000000    
 H    5.641300      -1.173500      1.8000000E-03
 H   -5.642100      -1.175700      6.0000003E-04
 H    6.273100       2.448900      1.2000001E-03
 H    7.001400      0.8565000      2.2000000E-03
 H   -6.277600       2.446000      1.4000000E-03
 H   -7.004400      0.8529000      1.7000000E-03


%chk=000075505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075505

0 1
O -0.000394 0.132483 0.000226
N 0.717281 -2.037372 0.000824
N -0.716642 -2.038153 0.000766
N 6.434144 1.290778 -0.000062
N -6.435729 1.287958 -0.000165
C 2.459359 -0.212559 0.000319
C -2.460453 -0.214271 0.000305
C 1.112025 -0.752417 0.000454
C -1.113037 -0.753759 0.000456
C 2.704192 1.188710 0.000088
C -2.705767 1.186934 0.000306
C 3.572255 -1.101095 0.000437
C -3.573161 -1.103075 0.000168
C 5.131767 0.799341 0.000097
C -5.133266 0.796921 0.000036
C 4.015626 1.689332 -0.000022
C -4.017287 1.687166 0.000174
C 4.883936 -0.608001 0.000329
C -4.884946 -0.610363 0.000036
H 1.857049 1.882267 -0.000009
H -1.858754 1.880661 0.000414
H 3.385041 -2.179819 0.000618
H -3.385684 -2.181771 0.000168
H 4.185439 2.772914 -0.000210
H -4.187310 2.770713 0.000167
H 5.728341 -1.307938 0.000416
H -5.729113 -1.310589 -0.000088
H 6.613992 2.290607 0.000052
H 7.228847 0.657946 0.000254
H -6.615886 2.287737 0.000109
H -7.230267 0.654915 0.000036


