%chk=000137315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137315

0 1
 S   0.2106000       1.146500       1.268300    
 O  -1.4600000E-02   3.525100     -5.4000001E-02
 N    3.572100     -0.6943000     -8.1100002E-02
 N   -1.130000       2.755300     -0.3948000    
 C    2.638200     -7.0299998E-02  0.8557000    
 C    4.769900      -1.153400      0.6212000    
 C    3.930800      0.2422000      -1.145400    
 C    1.380200      0.3687000      0.1168000    
 C    4.424700      -2.125800       1.730000    
 C    4.850600     -0.4003000      -2.163100    
 C   -1.102800       1.594400      0.1818000    
 C   -2.122400      0.5401000      3.9099999E-02
 C   -1.989900     -0.3995000     -0.9699000    
 C   -3.193200      0.5093000      0.9176000    
 C   -4.039200      -1.442400     -0.2280000    
 C   -2.955000      -1.397600      -1.104600    
 C   -4.158400     -0.4888000      0.7831000    
 C   -5.071600      -2.509200     -0.3726000    
 H    3.105400      0.7837000       1.364700    
 H    2.318300     -0.7848000       1.621800    
 H    5.426500      -1.703500     -6.1000001E-02
 H    5.348700     -0.3169000       1.032800    
 H    3.056600      0.5349000      -1.731900    
 H    4.390100       1.157600     -0.7519000    
 H   0.9024000     -0.4886000     -0.3668000    
 H    1.570500       1.136800     -0.6344000    
 H    4.002200      -1.628600       2.608700    
 H    3.731100      -2.903100       1.390700    
 H    5.335700      -2.631600       2.070500    
 H    5.872200     -0.5182000      -1.789100    
 H    4.477300      -1.377000      -2.490100    
 H    4.918200      0.2361000      -3.053100    
 H   -1.155600     -0.3684000      -1.664600    
 H   -3.294400       1.248700       1.707100    
 H   -2.851500      -2.134300      -1.896800    
 H   -4.997700     -0.5138000       1.473200    
 H   -5.178800      -2.816100      -1.418500    
 H   -4.793200      -3.384200      0.2231000    
 H   -6.053800      -2.156300     -4.0300000E-02
 H  -0.1802000       4.341200     -0.5554000    


%chk=000137315-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000137315

0 1
S 0.089961 1.037493 0.133810
O 0.278914 1.078711 -2.845143
N 4.100262 -0.025399 0.274313
N -0.938989 0.387800 -2.424977
C 2.720319 0.286609 0.720956
C 4.806400 -0.992814 1.155814
C 4.897941 1.192801 -0.032833
C 1.802743 0.466069 -0.502181
C 4.314556 -2.440885 0.969822
C 6.008807 0.940741 -1.070285
C -1.087763 0.362486 -1.112597
C -2.364189 -0.197791 -0.591323
C -3.509816 -0.267624 -1.437341
C -2.482913 -0.670002 0.741840
C -4.845553 -1.273244 0.374290
C -4.720478 -0.799505 -0.960969
C -3.705937 -1.195525 1.212095
C -6.161707 -1.837020 0.878454
H 2.687433 1.199712 1.365185
H 2.338219 -0.547071 1.336085
H 5.881567 -0.951567 0.903561
H 4.723298 -0.699230 2.232918
H 4.205375 1.954240 -0.437657
H 5.339561 1.632441 0.897344
H 1.672847 -0.485072 -1.038657
H 2.170936 1.226696 -1.204450
H 3.241281 -2.545886 1.212769
H 4.457350 -2.758064 -0.077716
H 4.875656 -3.128455 1.630212
H 6.746267 0.198092 -0.714987
H 5.570737 0.560822 -2.009505
H 6.555756 1.877822 -1.285346
H -3.430488 0.104831 -2.463042
H -1.611575 -0.627759 1.403230
H -5.589931 -0.840936 -1.629023
H -3.773984 -1.553469 2.246435
H -6.978274 -1.096594 0.783469
H -6.465112 -2.728681 0.297564
H -6.095810 -2.132436 1.939537
H 0.226334 1.001264 -3.832872


