%chk=000081140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081140

0 1
 N   -1.181600      0.8117000      5.7599999E-02
 N    1.296800      0.6147000     -6.0899999E-02
 N  -0.1120000      -1.413700     -2.4000001E-03
 C   0.1192000       1.487700      1.5000000E-03
 C   -1.261400     -0.5870000     -0.3670000    
 C    1.154900     -0.7805000      0.3594000    
 C   -2.344300       1.602800      7.6099999E-02
 C    2.570000       1.212100     -7.7600002E-02
 C  -0.2237000      -2.809000     -1.3000000E-03
 C   -2.342700       2.893100      0.6513000    
 C    2.771900       2.489600     -0.6458000    
 C   -1.108500      -3.481400     -0.8804000    
 C   -3.557000       1.136400     -0.4786000    
 C    3.694200      0.5566000      0.4720000    
 C   0.5417000      -3.612900      0.8794000    
 C   -3.496000       3.677500      0.6707000    
 C    4.034700       3.081800     -0.6635000    
 C   -1.221000      -4.871700     -0.8786000    
 C   -4.710200       1.920900     -0.4593000    
 C    4.957000       1.148900      0.4544000    
 C   0.4293000      -5.003200      0.8810000    
 C   -4.679700       3.191500      0.1154000    
 C    5.127300       2.411500     -0.1133000    
 C  -0.4519000      -5.632700      2.0000001E-03
 C   -5.912800       4.030000      0.1358000    
 C    6.477500       3.044500     -0.1318000    
 C  -0.5717000      -7.119200      3.8999999E-03
 H   9.9699996E-02   2.131500     -0.8849000    
 H   0.2397000       2.113400      0.8930000    
 H   -2.144300      -1.043600      9.7800002E-02
 H   -1.384400     -0.6141000      -1.457100    
 H    1.952700      -1.369900     -0.1101000    
 H    1.275900     -0.8300000       1.448900    
 H   -1.452800       3.313100       1.110200    
 H    1.959000       3.048300      -1.099900    
 H   -1.716800      -2.924100      -1.588900    
 H   -3.632600      0.1629000     -0.9551000    
 H    3.615500     -0.4190000      0.9436000    
 H    1.231000      -3.158900       1.587500    
 H   -3.461700       4.663900       1.125700    
 H    4.155600       4.065300      -1.109900    
 H   -1.910600      -5.350900      -1.568500    
 H   -5.626100       1.532600     -0.8970000    
 H    5.799800      0.6196000      0.8912000    
 H    1.030500      -5.585200       1.574600    
 H   -6.487600       3.830500       1.045600    
 H   -5.666200       5.096800      0.1035000    
 H   -6.546500       3.821700     -0.7329000    
 H    6.627800       3.635700      0.7770000    
 H    7.267500       2.288400     -0.1934000    
 H    6.594500       3.700900      -1.000800    
 H   0.3761000      -7.591400      0.2841000    
 H   -1.343400      -7.433000      0.7138000    
 H  -0.8353000      -7.496000     -0.9902000    


%chk=000081140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081140

0 1
N -0.704671 1.509150 -0.679098
N 1.305370 1.388551 0.650493
N 0.290462 -0.651757 -0.146847
C 0.301214 2.313782 0.065893
C -0.126376 0.278106 -1.236085
C 0.732394 0.106820 1.056986
C -2.084522 1.591671 -0.343702
C 2.679896 1.489030 0.292769
C -0.149194 -1.985112 -0.053131
C -2.659163 2.851654 -0.010453
C 3.294435 2.768160 0.182739
C -0.489353 -2.733498 -1.222017
C -2.941317 0.453134 -0.362623
C 3.484463 0.336996 0.060888
C -0.232472 -2.652456 1.206062
C -4.028414 2.959069 0.308665
C 4.657785 2.884507 -0.157348
C -0.909495 -4.073770 -1.122309
C -4.312543 0.584461 -0.061953
C 4.852118 0.472504 -0.255302
C -0.637092 -4.001799 1.280202
C -4.887738 1.831710 0.290992
C 5.470816 1.742970 -0.374067
C -0.994955 -4.742529 0.126932
C -6.358826 1.950295 0.652223
C 6.950723 1.874614 -0.691842
C -1.461601 -6.185770 0.218678
H 0.834411 3.019932 -0.597901
H -0.231635 2.885493 0.849108
H -0.854171 -0.216709 -1.896437
H 0.753790 0.566579 -1.842079
H 1.478793 -0.478039 1.620481
H -0.128170 0.306338 1.733931
H -2.046328 3.759184 -0.045391
H 2.715247 3.672905 0.398599
H -0.382988 -2.282896 -2.214959
H -2.544368 -0.542069 -0.587981
H 3.036225 -0.661325 0.088682
H 0.003557 -2.121188 2.133437
H -4.440035 3.945866 0.555182
H 5.102870 3.884480 -0.234396
H -1.158396 -4.619552 -2.041586
H -4.945360 -0.311695 -0.086583
H 5.446624 -0.432656 -0.432787
H -0.686755 -4.484784 2.264334
H -6.538802 1.673907 1.709864
H -6.725626 2.983124 0.516141
H -6.984390 1.284052 0.031050
H 7.564450 1.855628 0.230370
H 7.301670 1.046935 -1.333990
H 7.170885 2.823888 -1.211875
H -1.192763 -6.634843 1.190945
H -2.561370 -6.265269 0.111218
H -1.012306 -6.809280 -0.576326


