%chk=000056618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056618

0 1
 S   -1.296200      -1.504000      -1.462800    
 N    2.642000       1.809800      0.1989000    
 C   0.6821000      0.8327000     -0.9559000    
 C    1.920200       1.752200      -1.077300    
 C    1.062300     -0.5144000     -0.3700000    
 C  -0.4094000       1.493300     -8.8100001E-02
 C    2.255600     -0.6527000      0.3671000    
 C    3.230000      0.4960000      0.5027000    
 C   0.2081000      -1.620400     -0.5164000    
 C   -1.796800      0.8835000      3.0999999E-02
 C    2.586400      -1.894200      0.9273000    
 C    3.679500       2.839600      0.1677000    
 C   -2.250300     -0.3436000     -0.4908000    
 C   0.5534000      -2.852300      5.2099999E-02
 C    1.736800      -2.986200      0.7740000    
 C   -2.713100       1.666600      0.7731000    
 C   -3.589300     -0.7324000     -0.2742000    
 C   -4.030900       1.264700      0.9845000    
 C   -4.470400      6.1900001E-02  0.4571000    
 H   0.3104000      0.7038000      -1.980200    
 H    2.580100       1.388100      -1.877400    
 H    1.587300       2.754600      -1.375600    
 H  -0.5566000       2.510900     -0.4779000    
 H  -2.8500000E-02   1.602800      0.9377000    
 H    3.604000      0.5152000       1.534000    
 H    4.079700      0.2891000     -0.1622000    
 H    3.513400      -2.016200       1.482100    
 H    3.234600       3.826800      8.9999998E-04
 H    4.421000       2.658600     -0.6189000    
 H    4.201200       2.889000       1.129900    
 H  -9.2000000E-02  -3.720400     -6.0899999E-02
 H    2.000400      -3.944900       1.211200    
 H   -2.392000       2.617200       1.197000    
 H   -3.967200      -1.672400     -0.6744000    
 H   -4.707100       1.891900       1.557200    
 H   -5.495100     -0.2619000      0.6123000    


%chk=000056618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056618

0 1
S -1.321719 -1.528898 -1.485375
N 2.630738 1.788084 0.171119
C 0.677127 0.790154 -0.983757
C 1.924751 1.690685 -1.127541
C 1.075423 -0.541576 -0.362549
C -0.405768 1.530741 -0.152760
C 2.288019 -0.681257 0.364279
C 3.239267 0.495557 0.544563
C 0.238962 -1.677764 -0.510794
C -1.797510 0.917884 0.039009
C 2.646526 -1.944809 0.895492
C 3.604621 2.891924 0.231498
C -2.291839 -0.318078 -0.460768
C 0.593178 -2.935680 0.016843
C 1.812863 -3.068459 0.720469
C -2.708241 1.715166 0.791131
C -3.637087 -0.709359 -0.234261
C -4.045706 1.337886 1.016618
C -4.520819 0.114850 0.490428
H 0.268682 0.588067 -1.994585
H 2.591594 1.282923 -1.930523
H 1.621332 2.708551 -1.436176
H -0.559663 2.522777 -0.627264
H 0.034385 1.739165 0.841926
H 3.564056 0.551431 1.601896
H 4.164774 0.293001 -0.062289
H 3.587046 -2.046931 1.451446
H 3.096278 3.849965 0.024126
H 4.447418 2.779470 -0.497594
H 4.040593 2.948845 1.245664
H -0.078837 -3.789800 -0.111146
H 2.099585 -4.039657 1.138038
H -2.342449 2.667062 1.197610
H -3.978469 -1.675442 -0.621126
H -4.709196 1.988312 1.597055
H -5.556317 -0.202490 0.654099


