%chk=000055844.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055844

0 1
 O   -2.467300       1.231400     -0.1497000    
 O   0.1178000       2.044300     -0.2177000    
 N  -0.6132000     -0.1804000     -8.1000002E-03
 N   -3.855800       1.181600     -0.1229000    
 N    5.731700     -0.8998000      9.5100001E-02
 C   -3.002900     -0.9164000      0.1179000    
 C   -2.002400     -2.0300001E-02 -5.2999998E-03
 C   -4.152200     -0.1112000      3.7700001E-02
 C    1.735800      0.3847000     -5.7700001E-02
 C   -2.923500      -2.375600      0.2954000    
 C   0.3524000      0.8297000     -0.1113000    
 C   -5.561600     -0.5320000      0.1107000    
 C    2.728500       1.247900      0.4060000    
 C    2.070100     -0.9051000     -0.4705000    
 C    4.389900     -0.4685000      4.3800000E-02
 C    4.055600      0.8213000      0.4565000    
 C    3.397100      -1.331700     -0.4198000    
 H  -0.3189000      -1.141800      0.1351000    
 H   -2.092200      -2.799300     -0.2778000    
 H   -2.771700      -2.623400       1.350900    
 H   -3.839100      -2.872000     -4.1499998E-02
 H   -5.827100      -1.133700     -0.7646000    
 H   -5.739000      -1.134500       1.007500    
 H   -6.242100      0.3254000      0.1473000    
 H    2.490000       2.255100      0.7376000    
 H    1.340000      -1.599600     -0.8754000    
 H    4.820100       1.502900      0.8208000    
 H    3.646800      -2.336100     -0.7523000    
 H    5.974600      -1.835000     -0.2033000    
 H    6.451900     -0.2745000      0.4317000    


%chk=000055844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055844

0 1
O -2.512414 0.274375 -1.892312
O -0.277718 0.131779 1.628905
N -0.593938 -0.231070 -0.663211
N -3.982600 0.176784 -1.825477
N 5.910165 -0.397115 -0.228397
C -3.017669 -0.655701 0.148348
C -1.989854 -0.237170 -0.691082
C -4.220134 -0.360718 -0.603552
C 1.686990 -0.196696 0.239183
C -2.956750 -1.329239 1.492520
C 0.220111 -0.088754 0.482536
C -5.641815 -0.601945 -0.178490
C 2.560175 0.297260 1.247475
C 2.266566 -0.781567 -0.921160
C 4.530512 -0.335656 -0.074275
C 3.951671 0.237280 1.099804
C 3.659838 -0.852686 -1.080655
H -0.145478 -0.162215 -1.580339
H -2.676315 -2.396497 1.399364
H -2.200996 -0.844585 2.132556
H -3.938837 -1.286738 1.994129
H -5.814792 -1.670724 0.042931
H -5.883099 -0.027922 0.734793
H -6.334244 -0.292665 -0.978105
H 2.110677 0.727556 2.148489
H 1.636495 -1.231603 -1.698374
H 4.604404 0.631654 1.887825
H 4.084482 -1.319538 -1.977379
H 6.326428 -0.803483 -1.061535
H 6.531438 -0.039000 0.491587


