%chk=000047214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047214

0 1
 O    1.765900      0.4992000      0.8795000    
 O    2.188200      0.8578000      -1.378600    
 N   0.5781000      -1.969500      0.2346000    
 N   -3.672300      0.3159000     -0.2776000    
 N    3.924700      0.7709000      0.1572000    
 C  -0.1740000     -0.7752000      0.2708000    
 C   -2.293000      0.3569000      1.3600000E-02
 C   -1.538000     -0.8157000     -1.8500000E-02
 C   0.4349000      0.4380000      0.5921000    
 C   -1.684100       1.569900      0.3350000    
 C  -0.3202000       1.610500      0.6242000    
 C   0.6715000      -2.739400     -0.9889000    
 C    1.276400      -2.431300       1.416900    
 C   -4.580100       1.265700      0.3344000    
 C   -4.198100     -0.6676000      -1.203400    
 C    2.601500      0.7251000     -0.2305000    
 C    5.018600      0.9889000     -0.7606000    
 H   -2.002100      -1.771500     -0.2485000    
 H   -2.240500       2.502500      0.3574000    
 H   0.1480000       2.559300      0.8720000    
 H    1.513700      -3.439100     -0.9534000    
 H   0.8278000      -2.084900      -1.853500    
 H  -0.2417000      -3.321300      -1.150100    
 H   0.8022000      -2.068500       2.335700    
 H    2.318400      -2.096400       1.404400    
 H    1.274900      -3.525900       1.463500    
 H   -4.347700       1.417500       1.394600    
 H   -5.615200      0.9088000      0.2875000    
 H   -4.540400       2.229700     -0.1835000    
 H   -3.546700     -0.7853000      -2.076800    
 H   -5.181600     -0.3674000      -1.582400    
 H   -4.317700      -1.638600     -0.7115000    
 H    4.141600      0.6418000       1.140600    
 H    5.576200       1.866400     -0.4243000    
 H    4.658700       1.145900      -1.780000    
 H    5.670300      0.1124000     -0.7282000    


%chk=000047214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047214

0 1
O 1.836325 0.551741 0.960042
O 2.352459 1.151765 -1.291044
N 0.713821 -1.905604 -0.100305
N -3.694055 0.303990 -0.311544
N 4.003239 0.827430 0.355821
C -0.105060 -0.771863 0.137419
C -2.331005 0.353840 0.020142
C -1.491561 -0.785092 -0.175337
C 0.437847 0.442575 0.659004
C -1.752900 1.536228 0.577639
C -0.378785 1.559372 0.881788
C 0.215855 -2.958175 -0.992473
C 1.594000 -2.404719 0.974812
C -4.547351 1.470788 -0.066075
C -4.262364 -0.903152 -0.916778
C 2.713814 0.870651 -0.128071
C 5.159672 1.145444 -0.483184
H -1.927091 -1.713204 -0.549935
H -2.352915 2.431916 0.752469
H 0.085226 2.470425 1.274618
H 1.064227 -3.600567 -1.290786
H -0.213187 -2.511222 -1.905123
H -0.555023 -3.615388 -0.522441
H 1.965888 -1.565757 1.578990
H 2.460597 -2.933320 0.534800
H 1.059213 -3.115609 1.646558
H -4.556824 1.755936 1.006328
H -5.582803 1.237375 -0.361571
H -4.218280 2.356606 -0.648584
H -3.744163 -1.172995 -1.860365
H -5.324415 -0.730444 -1.153640
H -4.205209 -1.779747 -0.236833
H 4.124051 0.595953 1.341744
H 5.697299 2.038427 -0.112190
H 4.790809 1.355301 -1.499929
H 5.866847 0.296594 -0.532266


