%chk=000036319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036319

0 1
 O    3.710100      -2.851800     -2.1199999E-02
 N  -0.2085000     -0.3759000      9.8499998E-02
 N   -3.067200     -4.3600000E-02 -6.0000003E-04
 N    1.842800      0.6383000      0.3204000    
 N    1.736200      -1.697000      3.5000000E-02
 C   -1.050300      -1.280500     -0.6799000    
 C  -0.8717000      0.7039000      0.8244000    
 C   -2.329600     -0.5845000      -1.144500    
 C   -2.305100      0.3231000       1.195200    
 C    3.215100      0.6499000      0.3945000    
 C    3.880000       1.989900      0.5852000    
 C    4.796800       2.385600     -0.5735000    
 C    6.154900       1.685400     -0.5591000    
 C    6.106300      0.1726000     -0.7698000    
 C    3.906100     -0.5029000      0.2925000    
 C    5.407800     -0.5904000      0.3572000    
 C    1.152100     -0.5341000      0.1456000    
 C   -4.449100      0.1177000     -4.8599999E-02
 C    3.118400      -1.781000      9.0300001E-02
 C   -5.116800      0.3837000      -1.267000    
 C   -5.242600      2.1199999E-02   1.118300    
 C   -6.501700      0.5446000      -1.315600    
 C   -6.627300      0.1820000       1.069700    
 C   -7.256800      0.4436000     -0.1472000    
 H   -1.298100      -2.153600     -6.3800000E-02
 H  -0.5085000      -1.642200      -1.562100    
 H  -0.8796000       1.606900      0.2013000    
 H  -0.3357000      0.9377000       1.752400    
 H   -2.084400      0.2310000      -1.836000    
 H   -2.935200      -1.319600      -1.688500    
 H   -2.301300     -0.5215000       1.895300    
 H   -2.762300       1.181500       1.702600    
 H    3.112700       2.768900      0.6838000    
 H    4.430300       2.000300       1.534500    
 H    4.296600       2.214300      -1.534900    
 H    4.980200       3.465600     -0.5074000    
 H    6.671900       1.907800      0.3827000    
 H    6.770200       2.120200      -1.356700    
 H    7.141600     -0.1864000     -0.8318000    
 H    5.640100     -5.7300001E-02  -1.736100    
 H    5.755900     -0.2344000       1.335200    
 H    5.731400      -1.635700      0.2991000    
 H    1.374900       1.536500      0.3480000    
 H   -4.558400      0.4818000      -2.195300    
 H   -4.787000     -0.1948000       2.082100    
 H   -6.991900      0.7512000      -2.262500    
 H   -7.216000      0.1006000       1.978700    
 H   -8.334900      0.5689000     -0.1850000    


%chk=000036319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036319

0 1
O 3.584121 -2.693189 -1.190978
N -0.227827 -0.595197 0.579292
N -3.052752 -0.181857 0.203274
N 1.886831 0.483422 0.717149
N 1.675923 -1.666216 -0.311239
C -1.088884 -1.694768 0.096489
C -0.895294 0.568586 1.193258
C -2.305578 -1.131382 -0.654626
C -2.391100 0.268217 1.434488
C 3.280183 0.519868 0.500823
C 3.990396 1.765531 0.995052
C 4.711079 2.574145 -0.120906
C 6.038341 1.943807 -0.607552
C 5.910577 0.570598 -1.309975
C 3.892626 -0.540954 -0.131277
C 5.382804 -0.578638 -0.408574
C 1.133982 -0.622363 0.308051
C -4.383966 0.157434 -0.099626
C 3.067542 -1.703050 -0.583348
C -4.926640 -0.137457 -1.389947
C -5.239141 0.796203 0.852167
C -6.256370 0.203871 -1.708265
C -6.564628 1.138070 0.514106
C -7.090326 0.848934 -0.766062
H -1.419914 -2.324231 0.945935
H -0.467131 -2.320999 -0.563916
H -0.813656 1.462078 0.535518
H -0.438499 0.816131 2.176390
H -1.966421 -0.642221 -1.592440
H -2.965023 -1.975578 -0.939843
H -2.490526 -0.469828 2.260920
H -2.858285 1.206642 1.778730
H 3.261304 2.425950 1.507619
H 4.740199 1.477320 1.759443
H 4.022471 2.709572 -0.977944
H 4.930420 3.584451 0.278269
H 6.719774 1.836759 0.263325
H 6.529515 2.656733 -1.299746
H 6.913178 0.281993 -1.683294
H 5.257374 0.660718 -2.200248
H 5.954045 -0.575287 0.544488
H 5.579051 -1.549783 -0.897410
H 1.445145 1.283058 1.171700
H -4.304887 -0.613900 -2.153577
H -4.889637 0.999665 1.869375
H -6.639997 -0.031516 -2.707970
H -7.196117 1.622948 1.267995
H -8.121884 1.113210 -1.019695


