%chk=000060531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060531

0 1
 O   -1.114600       2.104800      0.3506000    
 N  -0.9539000      -1.206400      0.6662000    
 N   -4.436200      -1.142000     -0.5128000    
 N    1.116300     -9.7400002E-02  0.7733000    
 N    1.069700      -2.024600     -0.3440000    
 N    3.454400      0.4964000      0.5081000    
 C   -1.844300      -2.278900      0.2691000    
 C   -2.259700      -2.097900      -1.192300    
 C   -3.071000      -2.318500       1.183700    
 C   -3.268600     -0.9629000      -1.375100    
 C   -4.055500      -1.182500      0.8986000    
 C   0.3688000      -1.158200      0.3481000    
 C   0.6693000       1.034800       1.553200    
 C    2.389100     -0.3003000      0.3201000    
 C    2.340100      -1.502700     -0.3715000    
 C   0.1924000       2.147600      0.6615000    
 C    3.525200      -1.968900     -0.9550000    
 C   0.8323000       3.199800      0.1024000    
 C    4.667400      -1.184400     -0.7943000    
 C    4.574200      2.7999999E-03 -7.4500002E-02
 C   -1.329100       3.182700     -0.4487000    
 C  -0.1627000       3.888300     -0.6318000    
 C   -2.703500       3.368400     -0.9348000    
 H   -1.314200      -3.234000      0.3764000    
 H   -2.717500      -3.032200      -1.543900    
 H   -1.390100      -1.918100      -1.835100    
 H   -2.767200      -2.282700       2.237000    
 H   -3.588800      -3.275600       1.036400    
 H   -3.600800     -0.9465000      -2.419000    
 H   -2.796100      6.5000001E-03  -1.177000    
 H   -3.634000     -0.2171000       1.203100    
 H   -4.957500      -1.335400       1.501600    
 H   -1.395800     -0.4296000       1.148600    
 H   -5.086300     -0.3710000     -0.6633000    
 H    1.513700       1.380600       2.161400    
 H  -0.1062000      0.7175000       2.256800    
 H    3.559300      -2.900200      -1.509400    
 H    1.877300       3.457500      0.1962000    
 H    5.613500      -1.495700      -1.224400    
 H    5.457000      0.6229000      5.7500001E-02
 H  -4.1600000E-02   4.786500      -1.220300    
 H   -2.942700       2.622400      -1.698700    
 H   -3.422400       3.264600     -0.1161000    
 H   -2.835200       4.361400      -1.375700    


%chk=000060531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060531

0 1
O -1.174705 2.064641 0.614093
N -0.918748 -0.980176 0.617070
N -4.298237 -1.023614 -0.822372
N 1.301201 0.011279 0.692805
N 1.054106 -2.080458 -0.260864
N 3.730324 0.294869 0.424737
C -1.809564 -2.115187 0.267491
C -2.142560 -2.154046 -1.251476
C -3.113229 -2.029551 1.097666
C -3.073378 -0.993188 -1.655938
C -4.026821 -0.875991 0.622774
C 0.422658 -1.036611 0.336726
C 1.017577 1.246995 1.444869
C 2.585650 -0.396397 0.283916
C 2.408708 -1.700676 -0.297110
C 0.232476 2.275007 0.688788
C 3.563678 -2.342498 -0.787946
C 0.547900 3.431309 0.001972
C 4.791831 -1.641528 -0.659571
C 4.839230 -0.356325 -0.059817
C -1.718773 3.131851 -0.147772
C -0.688187 3.975829 -0.526376
C -3.196942 3.119864 -0.362150
H -1.253948 -3.034117 0.525649
H -2.652144 -3.111412 -1.471375
H -1.200874 -2.126053 -1.827493
H -2.874033 -1.912968 2.171540
H -3.664317 -2.978764 0.967802
H -3.363133 -1.097019 -2.717315
H -2.510484 -0.028451 -1.558064
H -3.548585 0.107981 0.876715
H -4.984888 -0.914466 1.172892
H -1.338750 -0.061816 0.790621
H -5.029049 -0.384441 -1.158738
H 2.004133 1.670681 1.701871
H 0.496083 0.984296 2.385905
H 3.511607 -3.335568 -1.244330
H 1.548415 3.841872 -0.118820
H 5.722220 -2.089300 -1.023244
H 5.788418 0.179898 0.041160
H -0.797551 4.883567 -1.116479
H -3.522452 2.206145 -0.894417
H -3.749259 3.164213 0.595026
H -3.491106 3.992123 -0.968221


