%chk=000019690.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019690

0 1
 O   -6.171800       1.147800      0.1282000    
 O   -4.462300       2.482600     -0.2113000    
 N    5.593500      0.3615000     -0.1817000    
 N   9.9600002E-02 -0.3672000      0.6132000    
 N  -0.4767000     -0.5216000     -0.4892000    
 N   -4.944000       1.335300     -5.0400000E-02
 C    4.209300      0.1782000      1.8300001E-02
 C    3.355300       1.280900      3.8899999E-02
 C    3.694400      -1.106100      0.1958000    
 C    1.471700     -0.1845000      0.4144000    
 C    1.986500       1.099600      0.2370000    
 C    2.325600      -1.287400      0.3938000    
 C    6.244100       1.578500      0.2610000    
 C    6.385700     -0.6708000     -0.8204000    
 C   -1.855500     -0.7053000     -0.2889000    
 C   -4.072600      0.2142000     -7.0200004E-02
 C   -2.704200      0.3973000     -0.2688000    
 C   -2.362200      -1.989400     -0.1125000    
 C   -4.585800      -1.070900      0.1070000    
 C   -3.730500      -2.172500      8.6000003E-02
 H    3.722000       2.292900     -0.1078000    
 H    4.332800      -1.985000      0.1977000    
 H    1.328700       1.964700      0.2497000    
 H    1.933900      -2.291600      0.5345000    
 H    6.068900       2.393000     -0.4497000    
 H    7.328200       1.440500      0.3421000    
 H    5.891000       1.884400       1.252200    
 H    7.330300     -0.2654000      -1.200100    
 H    5.862100      -1.104700      -1.679800    
 H    6.631300      -1.466900     -0.1098000    
 H   -2.277300       1.387600     -0.4110000    
 H   -1.703000      -2.853200     -0.1284000    
 H   -5.646200      -1.251800      0.2638000    
 H   -4.129700      -3.173200      0.2239000    


%chk=000019690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019690

0 1
O -6.191246 1.253657 0.291419
O -4.265617 2.470066 0.362123
N 5.716765 0.380543 -0.102464
N 0.057625 0.097682 0.004608
N -0.528287 -1.078842 -0.083751
N -4.902817 1.352119 0.268121
C 4.329229 0.285162 -0.079753
C 3.505570 1.455676 0.036026
C 3.672996 -0.993946 -0.170928
C 1.468546 0.076781 -0.030847
C 2.111005 1.344312 0.059544
C 2.280848 -1.093429 -0.147103
C 6.368162 1.696757 -0.010388
C 6.545164 -0.830310 -0.218984
C -1.958548 -1.010974 -0.040970
C -4.110568 0.099548 0.124173
C -2.709229 0.188974 0.096047
C -2.637888 -2.255347 -0.144397
C -4.806072 -1.129511 0.021951
C -4.047879 -2.310652 -0.113266
H 3.959063 2.447256 0.108174
H 4.266961 -1.907719 -0.260148
H 1.479119 2.234387 0.148489
H 1.785223 -2.066823 -0.216594
H 6.075744 2.356324 -0.851261
H 7.460753 1.568028 -0.043676
H 6.113203 2.212529 0.936496
H 7.608758 -0.547140 -0.211172
H 6.344181 -1.374580 -1.162859
H 6.371637 -1.526662 0.624909
H -2.199061 1.151918 0.177195
H -2.033927 -3.162488 -0.248455
H -5.898360 -1.136007 0.049750
H -4.557952 -3.275789 -0.194512


