%chk=000060868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060868

0 1
 S    2.067200      0.6350000     -0.9629000    
 S  -0.4978000       3.507900      0.4323000    
 N   -3.475800      -1.016300     -0.4820000    
 N   -1.455700       2.157400      0.1604000    
 N    1.001300       2.911900     -2.8899999E-02
 C   -1.095800      -1.076300      0.5706000    
 C   -1.150300     -9.6299998E-02 -0.6312000    
 C   -2.159100     -0.7037000       1.617900    
 C   -1.497200      -2.461900      2.7000001E-02
 C   -2.609700     -1.1300000E-02  -1.143100    
 C   -3.547700     -0.6948000      0.9598000    
 C   -2.877800      -2.359900     -0.6442000    
 C  -0.6019000       1.239500     -0.2917000    
 C   0.7560000       1.652500     -0.3976000    
 C    3.143800      0.6417000      0.4935000    
 C    4.413300     -0.1876000      0.3017000    
 C    4.144900      -1.674000      5.0099999E-02
 C    5.442500      -2.463800     -3.1599998E-02
 H  -0.1000000      -1.115600       1.025400    
 H  -0.5524000     -0.5245000      -1.447300    
 H   -1.943600      0.2716000       2.066700    
 H   -2.145300      -1.433300       2.437000    
 H   -1.527900      -3.193700      0.8431000    
 H  -0.7539000      -2.815600     -0.6973000    
 H   -3.083400      0.9723000      -1.053400    
 H   -2.613300     -0.2098000      -2.224000    
 H   -4.206300      -1.412000       1.465500    
 H   -4.021100      0.2852000       1.098400    
 H   -2.794800      -2.601100      -1.711500    
 H   -3.551500      -3.117000     -0.2240000    
 H    2.580700      0.2602000       1.352600    
 H    3.432000       1.674200      0.7186000    
 H    5.006600      0.2261000     -0.5237000    
 H    5.026700     -8.4100001E-02   1.205800    
 H    3.527300      -2.081700      0.8589000    
 H    3.594800      -1.819400     -0.8854000    
 H    5.230900      -3.522600     -0.2107000    
 H    6.010100      -2.384500      0.9011000    
 H    6.072200      -2.099800     -0.8497000    


%chk=000060868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060868

0 1
S 1.963108 -0.137153 -0.145609
S -0.232260 3.335812 1.138491
N -3.737121 -0.844142 -0.792571
N -1.371204 2.090600 0.510593
N 1.241954 2.332200 0.847731
C -1.651505 -1.256504 0.706252
C -1.300151 -0.219219 -0.425530
C -2.826829 -0.724519 1.567698
C -2.080044 -2.579901 0.013416
C -2.637351 0.058460 -1.225512
C -4.081426 -0.556710 0.634635
C -3.304444 -2.267953 -0.925029
C -0.646082 1.025176 0.125714
C 0.808381 1.177656 0.318120
C 3.617029 0.724687 0.266775
C 4.785444 -0.129266 -0.245820
C 4.921577 -1.512857 0.432670
C 6.161557 -2.287452 -0.061883
H -0.760311 -1.430713 1.336164
H -0.560519 -0.709187 -1.091804
H -2.553504 0.239047 2.032887
H -3.031155 -1.441485 2.385020
H -2.352795 -3.321560 0.787877
H -1.232924 -3.001525 -0.560673
H -2.962397 1.099348 -1.059846
H -2.470317 -0.087960 -2.307685
H -4.895367 -1.244302 0.928150
H -4.475785 0.473031 0.686505
H -3.048162 -2.444559 -1.985711
H -4.168153 -2.912139 -0.680859
H 3.640174 0.862318 1.360261
H 3.573370 1.715357 -0.213099
H 4.704920 -0.256307 -1.343752
H 5.714418 0.450985 -0.066912
H 4.978714 -1.374051 1.531158
H 4.009265 -2.111984 0.242081
H 6.245711 -3.271078 0.434524
H 7.091008 -1.723844 0.144748
H 6.111175 -2.463406 -1.152973


