%chk=000090374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090374

0 1
 S   0.6648000       1.867200     -0.8521000    
 O  -0.1111000      -3.041000     -0.1358000    
 N  -7.8999996E-03 -0.7606000     -0.6432000    
 N    2.134000     -0.3746000     -2.5599999E-02
 C   -2.361200     -0.2096000     -6.9399998E-02
 C   -3.788800     -7.1400002E-02 -0.6090000    
 C   -1.365200     -0.6076000      -1.155300    
 C   -4.817300      0.2703000      0.4736000    
 C   -6.231600      0.4788000     -7.2300002E-02
 C    1.872200      -1.759900      0.3224000    
 C   0.4714000      -1.965500     -0.1836000    
 C   0.9528000      0.2471000     -0.5266000    
 C   -7.215800      0.8047000       1.051900    
 C    3.451700      0.1583000      0.1487000    
 C   -8.616100       1.051000      0.5129000    
 C    3.916600       1.165300     -0.6990000    
 C    4.274000     -0.3276000       1.166800    
 C    5.200000       1.684800     -0.5293000    
 C    5.557300      0.1921000       1.336500    
 C    6.020300       1.198200      0.4885000    
 H   -2.347700     -0.9637000      0.7277000    
 H   -2.058300      0.7345000      0.3976000    
 H   -4.084500      -1.007600      -1.098400    
 H   -3.804800      0.7086000      -1.380300    
 H   -1.673400      -1.565700      -1.591000    
 H   -1.370200      0.1306000      -1.963900    
 H   -4.496500       1.180600      0.9955000    
 H   -4.830100     -0.5339000       1.219700    
 H   -6.558900     -0.4257000     -0.5991000    
 H   -6.223200       1.294900     -0.8049000    
 H    2.566800      -2.425500     -0.1968000    
 H    1.885600      -1.895600       1.407000    
 H   -7.246300     -2.1800000E-02   1.771300    
 H   -6.879700       1.695600       1.595000    
 H   -8.625300       1.894700     -0.1844000    
 H   -9.303000       1.280700       1.333500    
 H   -8.995500      0.1678000     -1.0800000E-02
 H    3.344800       1.524900      -1.546300    
 H    3.943100      -1.102100       1.852100    
 H    5.567100       2.456700      -1.199400    
 H    6.196000     -0.1853000       2.129900    
 H    7.020700       1.600400      0.6186000    


%chk=000090374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090374

0 1
S 0.636070 1.578239 -1.402226
O -0.141283 -3.201567 0.176969
N 0.005316 -0.974103 -0.630385
N 2.141639 -0.432077 -0.100974
C -2.339066 -0.282213 -0.052117
C -3.783847 -0.176021 -0.587580
C -1.380248 -0.851675 -1.120519
C -4.770343 0.384980 0.461235
C -6.220836 0.487797 -0.061597
C 1.938528 -1.829748 0.354310
C 0.490778 -2.134592 -0.016646
C 0.975204 0.065802 -0.694028
C -7.208424 1.051074 0.985748
C 3.414391 0.196580 0.105804
C -8.656293 1.147086 0.458013
C 3.691882 1.537666 -0.276322
C 4.447495 -0.563567 0.727744
C 4.967376 2.090446 -0.037135
C 5.716612 0.003901 0.959221
C 5.990097 1.336371 0.579617
H -2.319231 -0.937025 0.840922
H -1.980340 0.718013 0.257720
H -4.131949 -1.177334 -0.917038
H -3.797796 0.474389 -1.486822
H -1.700266 -1.865954 -1.419873
H -1.360759 -0.193362 -2.007054
H -4.425948 1.388123 0.788155
H -4.751289 -0.260765 1.363916
H -6.566817 -0.515816 -0.386776
H -6.241718 1.131591 -0.965904
H 2.618651 -2.532111 -0.161000
H 2.084530 -1.931574 1.444792
H -7.184914 0.409143 1.890138
H -6.863207 2.054632 1.308342
H -8.712200 1.806988 -0.428451
H -9.341764 1.552739 1.224800
H -9.035391 0.151688 0.158267
H 2.916322 2.135828 -0.756099
H 4.280975 -1.598577 1.037381
H 5.156005 3.126055 -0.340877
H 6.492121 -0.603284 1.438898
H 6.976738 1.775335 0.760128


