%chk=000027113.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027113

0 1
 O    1.224400       1.768700      0.2698000    
 O   -1.774700      -1.348100       1.506100    
 N    2.253300      -1.544800      8.5199997E-02
 N    2.586200     -0.1844000      0.2334000    
 N  -0.9767000     -3.5300002E-02 -0.2676000    
 N   -7.335800       1.113700     -0.1178000    
 C   0.3143000     -0.4020000     -0.1090000    
 C   0.8829000      -1.612400     -0.1699000    
 C    1.403800      0.5648000      0.1858000    
 C   -1.287200      0.9183000      -1.354000    
 C    3.907000      0.3129000      0.1044000    
 C   0.2063000      -2.918500     -0.4177000    
 C    2.899900      -2.516700      0.9615000    
 C   -1.978900     -0.5534000      0.5882000    
 C   -1.605000      0.1998000      -2.649000    
 C   -3.374300     -0.1196000      0.4052000    
 C    4.214900       1.611100      0.5231000    
 C    4.912100     -0.4907000     -0.4431000    
 C    5.514900       2.100700      0.3958000    
 C    6.212100     -1.2000001E-03 -0.5701000    
 C   -4.200900     -0.8339000     -0.4474000    
 C   -3.834300      0.9951000       1.087900    
 C    6.513500       1.294400     -0.1506000    
 C   -5.522300     -0.4226000     -0.6220000    
 C   -5.155700       1.406400      0.9135000    
 C   -5.999700      0.6977000      5.8400001E-02
 H   -2.131300       1.551600      -1.068600    
 H  -0.4420000       1.593700      -1.520700    
 H   0.7511000      -3.488200      -1.178000    
 H  -0.8167000      -2.792500     -0.7849000    
 H   0.1681000      -3.514700      0.4993000    
 H    3.935100      -2.266900       1.205700    
 H    2.903800      -3.504500      0.4885000    
 H    2.357500      -2.592500       1.911200    
 H   -2.446700     -0.4881000      -2.549700    
 H   -1.851600      0.9238000      -3.432100    
 H  -0.7448000     -0.3851000      -2.992000    
 H    3.473700       2.259300      0.9792000    
 H    4.711700      -1.490500     -0.8174000    
 H    5.751500       3.107400      0.7277000    
 H    6.988000     -0.6254000      -1.003500    
 H   -3.840200      -1.713200     -0.9736000    
 H   -3.182600       1.552500       1.754800    
 H    7.525400       1.675800     -0.2501000    
 H   -6.170600     -0.9846000      -1.289400    
 H   -5.515700       2.281100       1.449200    
 H   -7.948000      0.6008000     -0.7381000    
 H   -7.682100       1.926300      0.3746000    


%chk=000027113-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027113

0 1
O 1.522731 1.955871 -0.254859
O -1.622320 -0.753267 1.725570
N 2.191301 -1.512451 0.259019
N 2.601663 -0.143506 0.173595
N -1.021878 0.155797 -0.346989
N -7.639023 0.530645 -0.111567
C 0.329264 -0.233868 -0.133065
C 0.790119 -1.522883 0.098191
C 1.461095 0.698909 -0.079998
C -1.246254 1.183814 -1.411630
C 3.968470 0.190957 -0.058640
C 0.000587 -2.787585 0.220686
C 2.817415 -2.301580 1.352473
C -1.980589 -0.202389 0.631979
C -1.020057 0.633632 -2.832609
C -3.432478 0.051152 0.357699
C 4.436083 1.479870 0.308169
C 4.850235 -0.741738 -0.666366
C 5.783438 1.821002 0.067305
C 6.199695 -0.390464 -0.882231
C -4.055553 -0.155284 -0.902168
C -4.260084 0.388081 1.463033
C 6.674644 0.890426 -0.517032
C -5.444414 -0.008332 -1.061958
C -5.644525 0.559541 1.314566
C -6.264335 0.366799 0.043126
H -2.266474 1.578580 -1.295698
H -0.537193 2.011033 -1.221706
H 0.594384 -3.676070 -0.054021
H -0.877831 -2.733305 -0.445652
H -0.396304 -2.900530 1.247099
H 3.912358 -2.284925 1.243664
H 2.469844 -3.342741 1.270674
H 2.541701 -1.899227 2.346312
H -1.722618 -0.183349 -3.080131
H -1.156525 1.443135 -3.572772
H 0.008310 0.246459 -2.944476
H 3.741281 2.196220 0.751470
H 4.467333 -1.713322 -0.995655
H 6.138989 2.819151 0.345880
H 6.875427 -1.114252 -1.351675
H -3.455227 -0.466825 -1.763459
H -3.790883 0.503199 2.445571
H 7.721425 1.161718 -0.691201
H -5.903604 -0.189902 -2.041468
H -6.258630 0.835170 2.180653
H -8.082872 0.393908 -1.014932
H -8.224422 0.788828 0.677424


