%chk=000037695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037695

0 1
 O   0.2067000      -1.234900       2.121600    
 N  -0.6283000      0.5388000      0.8107000    
 N   -3.999600     -0.8209000      4.0899999E-02
 C    1.742000      0.3320000      0.9837000    
 C    1.322800       1.495000      0.1043000    
 C   0.3634000     -0.2568000       1.403400    
 C  -7.0100002E-02   1.568400      4.2100001E-02
 C   -2.046800      0.3234000      0.9724000    
 C    2.518700     -0.6976000      0.2260000    
 C    2.509600      0.7904000       2.220400    
 C   -2.569800     -0.5891000     -0.1329000    
 C    2.110700       2.410300     -0.5760000    
 C  -0.7161000       2.545600     -0.6957000    
 C    3.905700     -0.5994000      0.1460000    
 C    1.851700      -1.750300     -0.3958000    
 C    1.474600       3.402600      -1.325600    
 C   7.2700001E-02   3.469000      -1.385100    
 C   -4.729700      0.4476000      4.8000000E-02
 C   -4.511200      -1.695800      -1.015100    
 C    4.630100      -1.559500     -0.5603000    
 C    2.576200      -2.710500      -1.102000    
 C    3.965500      -2.615000      -1.184200    
 C   -6.212600      0.2262000      0.2934000    
 C   -3.766300      -3.019700      -1.040200    
 H   -2.209600     -0.1514000       1.948200    
 H   -2.505900       1.312700       1.009900    
 H    2.859200     -5.7399999E-02   2.822500    
 H    3.369300       1.428800       1.988900    
 H    1.860800       1.387300       2.875000    
 H   -2.352800     -0.1560000      -1.118500    
 H   -2.002800      -1.523700     -5.9799999E-02
 H    3.193400       2.368900     -0.5328000    
 H   -1.796700       2.607400     -0.7555000    
 H    4.461600      0.2158000      0.5968000    
 H   0.7714000      -1.854400     -0.3915000    
 H    2.069300       4.132300      -1.868700    
 H  -0.4019000       4.248500      -1.975200    
 H   -4.422000       1.083900      0.8809000    
 H   -4.583200       1.014500     -0.8799000    
 H   -5.560000      -1.950300     -0.8305000    
 H   -4.453400      -1.222600      -2.003500    
 H    5.711300      -1.482600     -0.6293000    
 H    2.058700      -3.528400      -1.594900    
 H    4.529200      -3.361000      -1.736600    
 H   -6.726700     -0.1749000     -0.5854000    
 H   -6.389000     -0.4403000       1.144700    
 H   -6.694200       1.183400      0.5241000    
 H   -2.765900      -2.929800      -1.475100    
 H   -3.684000      -3.460100     -4.0500000E-02
 H   -4.312600      -3.734700      -1.666000    


%chk=000037695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037695

0 1
O 0.154184 -1.589746 1.802278
N -0.612085 0.389612 0.770597
N -4.115272 -0.690307 -0.237269
C 1.773093 0.153319 0.935945
C 1.376526 1.449123 0.213154
C 0.381919 -0.493910 1.222437
C -0.041100 1.535060 0.156038
C -2.048581 0.113585 0.905490
C 2.683255 -0.746160 0.073509
C 2.410435 0.449389 2.330299
C -2.648738 -0.532738 -0.370263
C 2.155934 2.474980 -0.339700
C -0.700665 2.630793 -0.431882
C 4.052492 -0.410153 -0.097150
C 2.183922 -1.889490 -0.600206
C 1.511628 3.591530 -0.936008
C 0.099945 3.665217 -0.977383
C -4.862825 0.514380 -0.687429
C -4.631455 -1.963012 -0.809497
C 4.894923 -1.186761 -0.921386
C 3.025273 -2.667536 -1.427176
C 4.383930 -2.319854 -1.594849
C -6.247409 0.653277 -0.026041
C -4.294106 -3.187129 0.062803
H -2.180755 -0.582576 1.750380
H -2.577555 1.053597 1.147911
H 2.553905 -0.498106 2.877422
H 3.385351 0.953252 2.221619
H 1.753016 1.108252 2.924703
H -2.371719 0.074032 -1.265843
H -2.181836 -1.524503 -0.501269
H 3.249450 2.417995 -0.324768
H -1.793107 2.689467 -0.474653
H 4.476792 0.456714 0.421993
H 1.142150 -2.193550 -0.460113
H 2.111502 4.398083 -1.370575
H -0.385024 4.530965 -1.442133
H -4.258333 1.402676 -0.419428
H -4.970935 0.535199 -1.802168
H -5.730603 -1.876772 -0.883645
H -4.255697 -2.123440 -1.851791
H 5.948747 -0.908390 -1.036049
H 2.619242 -3.550320 -1.934067
H 5.036377 -2.924904 -2.234243
H -6.915604 -0.187550 -0.285031
H -6.142648 0.677382 1.072526
H -6.741496 1.585407 -0.358207
H -3.203800 -3.325660 0.178359
H -4.726460 -3.065623 1.071060
H -4.702783 -4.109396 -0.390995


