%chk=000162426.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162426

0 1
 S    2.685500      0.2673000       1.449900    
 O    4.168700      0.4820000       1.376800    
 N   -3.369100     -0.6286000       1.557000    
 N   0.4089000     -8.6800002E-02 -0.6232000    
 C   -3.419100      0.2094000     -0.9044000    
 C   -1.998300      0.3330000     -0.3072000    
 C   -2.000200     -0.2829000       1.110600    
 C   -3.900500      -1.247600     -0.8042000    
 C   -4.353000       1.048600     -1.3300000E-02
 C   -3.895900      -1.687600      0.6685000    
 C   -4.233700      0.5658000       1.441700    
 C  -0.9306000     -0.2877000      -1.184200    
 C   0.8715000       1.239100     -0.4657000    
 C    1.229200      -1.222500     -0.4381000    
 C    1.958200       1.522000      0.3826000    
 C    2.348800      -1.165600      0.4126000    
 C   0.3137000       2.316900      -1.185700    
 C    1.003400      -2.430100      -1.132200    
 C    2.446700       2.834700      0.5043000    
 C    3.190600      -2.281800      0.5615000    
 C   0.8082000       3.617900      -1.065100    
 C    1.847300      -3.533500     -0.9845000    
 C    1.876800       3.876800     -0.2200000    
 C    2.943000      -3.458800     -0.1376000    
 H   -3.453400      0.5658000      -1.939200    
 H   -1.819600       1.406200     -0.1835000    
 H   -1.376200      -1.183100       1.172100    
 H   -1.555500      0.4265000       1.820600    
 H   -3.275400      -1.915800      -1.405000    
 H   -4.918000      -1.328700      -1.206400    
 H   -5.389500      0.9507000     -0.3580000    
 H   -4.090100       2.111200     -7.8100003E-02
 H   -4.910900      -1.962800      0.9818000    
 H   -3.296600      -2.599700      0.7828000    
 H   -3.836900       1.370800       2.073100    
 H   -5.230100      0.3421000       1.842400    
 H  -0.9776000      8.9900002E-02  -2.213200    
 H   -1.193200      -1.343500      -1.261600    
 H  -0.4984000       2.173800      -1.893700    
 H   0.2068000      -2.543400      -1.861400    
 H    3.270900       3.061300       1.177200    
 H    4.043400      -2.249400       1.236100    
 H   0.3604000       4.423500      -1.639600    
 H    1.652800      -4.444000      -1.544000    
 H    2.263100       4.886500     -0.1198000    
 H    3.601200      -4.313800     -1.7800000E-02


%chk=000162426-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162426

0 1
S 2.473130 0.210945 1.721069
O 4.092061 0.453902 2.059245
N -3.584031 -0.636014 1.617116
N 0.336200 -0.132670 -0.485018
C -3.528197 0.247761 -0.827343
C -2.109999 0.376874 -0.190039
C -2.199407 -0.193252 1.278672
C -4.016605 -1.229207 -0.809381
C -4.514739 1.099179 0.018921
C -4.002458 -1.724992 0.683957
C -4.521916 0.519669 1.484527
C -1.026921 -0.335846 -1.031765
C 0.877078 1.190053 -0.432690
C 1.245059 -1.235837 -0.414202
C 1.961854 1.494555 0.427610
C 2.361044 -1.196322 0.459916
C 0.422548 2.235166 -1.286270
C 1.133285 -2.378034 -1.256968
C 2.629342 2.726162 0.423981
C 3.355510 -2.182282 0.490705
C 1.055493 3.496293 -1.272263
C 2.100237 -3.405065 -1.204059
C 2.170632 3.747795 -0.438571
C 3.223539 -3.311275 -0.349526
H -3.505998 0.624365 -1.868461
H -1.865800 1.456011 -0.145666
H -1.522027 -1.059516 1.401220
H -1.892315 0.566959 2.018648
H -3.381431 -1.869052 -1.450764
H -5.038174 -1.274465 -1.232102
H -5.525264 1.054585 -0.430062
H -4.199229 2.160151 0.013526
H -5.003348 -2.073958 0.996451
H -3.302278 -2.569713 0.819847
H -4.217326 1.288470 2.217486
H -5.531009 0.171301 1.769740
H -1.088141 -0.017519 -2.096354
H -1.224754 -1.420096 -1.007806
H -0.400219 2.055077 -1.984355
H 0.319693 -2.447966 -1.985215
H 3.491048 2.863391 1.087875
H 4.210534 -2.051037 1.164359
H 0.686483 4.282770 -1.940023
H 1.988092 -4.273497 -1.862687
H 2.666936 4.723090 -0.453338
H 3.979088 -4.102809 -0.335042


