%chk=000036055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036055

0 1
 O   -1.156000      -1.228000      -1.206000    
 O    7.085200     -0.6522000     -0.2060000    
 N   -2.511700       1.650500      0.1769000    
 N   -2.694800      0.3379000     -0.2895000    
 N   0.8683000      0.7555000     -0.6725000    
 C   -1.144100       1.921000      0.1289000    
 C  -0.4528000      0.9080000     -0.4138000    
 C   -1.458300     -0.1455000     -0.7300000    
 C   -3.857000     -0.4288000     -2.5200000E-02
 C   -3.489100       2.665600     -0.2038000    
 C  -0.6034000       3.229200      0.6007000    
 C   -4.097100      -1.611000     -0.7324000    
 C   -4.771700     -9.2000002E-03  0.9455000    
 C   -5.240600      -2.366100     -0.4714000    
 C   -5.915100     -0.7642000       1.206700    
 C    1.571300      0.2289000      0.2814000    
 C   -6.149600      -1.942700      0.4981000    
 C    3.022200     -1.9000000E-03  0.1530000    
 C    3.713200     -0.5678000       1.211100    
 C    3.663300      0.3516000      -1.022500    
 C    5.085500     -0.7870000       1.090100    
 C    5.035500      0.1323000      -1.143500    
 C    5.746600     -0.4369000     -8.7200001E-02
 C    7.750300      -1.239300      0.9114000    
 H   -4.510200       2.284300     -0.2808000    
 H   -3.234100       3.092300      -1.180900    
 H   -3.496500       3.475100      0.5338000    
 H   0.4902000       3.255800      0.5557000    
 H  -0.8965000       3.409200       1.640100    
 H  -0.9806000       4.051600     -1.5000000E-02
 H   -3.429500      -1.959500      -1.513700    
 H   -4.607900      0.8810000       1.546100    
 H   -5.426700      -3.280600      -1.027100    
 H   -6.619000     -0.4395000       1.967500    
 H    1.106600     -7.2499998E-02   1.240100    
 H   -7.039600      -2.530800      0.7018000    
 H    3.208100     -0.8443000       2.132400    
 H    3.133200      0.7960000      -1.859800    
 H    5.576200      -1.232700       1.948600    
 H    5.545200      0.4066000      -2.063200    
 H    7.703900     -0.5913000       1.793300    
 H    8.807200      -1.338500      0.6430000    
 H    7.376800      -2.248200       1.117400    


%chk=000036055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036055

0 1
O -1.178278 -1.542754 0.021867
O 7.294710 -0.051623 0.582568
N -2.632774 1.707236 -0.128136
N -2.730449 0.277935 -0.149603
N 0.893555 0.892704 0.075270
C -1.269509 2.027247 -0.118776
C -0.497294 0.864419 -0.033858
C -1.409574 -0.297906 -0.056612
C -3.950493 -0.374964 0.203505
C -3.603022 2.459601 -0.953951
C -0.777019 3.437749 -0.212374
C -4.194462 -1.678929 -0.297837
C -4.892342 0.247838 1.064106
C -5.384112 -2.347174 0.060057
C -6.087409 -0.425466 1.395442
C 1.607820 -0.218586 0.116565
C -6.340317 -1.724275 0.896193
C 3.068776 -0.181157 0.237170
C 3.800657 -1.397575 0.277537
C 3.792702 1.047202 0.316067
C 5.206964 -1.408465 0.391903
C 5.188133 1.053302 0.429844
C 5.903047 -0.175847 0.468043
C 8.086618 -1.284137 0.623043
H -4.629435 2.166677 -0.687042
H -3.445390 2.276834 -2.035109
H -3.475888 3.532243 -0.740605
H 0.313087 3.417021 -0.053947
H -1.239598 4.088858 0.552077
H -0.971029 3.887385 -1.205257
H -3.449333 -2.156778 -0.937571
H -4.668833 1.230446 1.493511
H -5.566218 -3.357403 -0.322457
H -6.812108 0.058857 2.059435
H 1.134027 -1.215302 0.066206
H -7.265700 -2.246588 1.161656
H 3.258252 -2.349577 0.218989
H 3.225283 1.982563 0.285352
H 5.740180 -2.363312 0.420322
H 5.756058 1.986859 0.491363
H 7.818422 -1.905611 1.499351
H 9.131223 -0.951168 0.709835
H 7.957971 -1.874479 -0.304843


