%chk=000121231.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121231

0 1
 S    1.125200      0.1448000     -0.6772000    
 S   -4.317900     -3.1599998E-02 -0.8743000    
 O   0.3866000     -0.1009000       1.852900    
 N    5.131200      0.1973000     -7.7399999E-02
 N   -1.333500     -5.7999999E-03  0.2767000    
 C    3.859800      0.2060000     -0.7949000    
 C    6.250500      0.3010000      -1.014300    
 C    5.255800      -1.015200      0.7325000    
 C    2.705400      0.1354000      0.1969000    
 C   -2.064200       1.235800      0.2048000    
 C   -1.980200      -1.273700      4.6900000E-02
 C   -3.376900       1.337500     -0.2743000    
 C   -3.291400      -1.400200     -0.4314000    
 C   4.1999999E-03  9.3999999E-03  0.6922000    
 C    6.139700       1.554500      -1.865500    
 C    6.545600      -1.009000       1.535100    
 C   -1.445700       2.427200      0.6526000    
 C   -1.264500      -2.469300      0.2923000    
 C   -4.023900       2.589100     -0.3144000    
 C   -3.856700      -2.676300     -0.6282000    
 C   -2.094900       3.663300      0.6119000    
 C   -1.832400      -3.730300      9.5100001E-02
 C   -3.387500       3.745200      0.1244000    
 C   -3.134200      -3.834500     -0.3626000    
 H    3.807000     -0.6263000      -1.509900    
 H    3.733600       1.138600      -1.355300    
 H    7.198000      0.3937000     -0.4736000    
 H    6.324300     -0.5799000      -1.664600    
 H    4.474500      -1.071100       1.494400    
 H    5.197500      -1.926600      0.1245000    
 H    2.739900      0.9768000      0.8978000    
 H    2.697100     -0.7981000      0.7620000    
 H    5.384300       1.462300      -2.651900    
 H    5.921700       2.441100      -1.260100    
 H    7.093800       1.735900      -2.373800    
 H    7.424400      -1.215900      0.9166000    
 H    6.694300     -5.8400001E-02   2.059000    
 H    6.509200      -1.797500       2.295700    
 H  -0.4340000       2.426000       1.051900    
 H  -0.2411000      -2.455600      0.6594000    
 H   -5.041700       2.677200     -0.6914000    
 H   -4.874400      -2.782500      -1.000700    
 H   -1.585600       4.555800      0.9630000    
 H   -1.252800      -4.625000      0.3023000    
 H   -3.901200       4.700700      8.7300003E-02
 H   -3.584900      -4.809300     -0.5200000    


%chk=000121231-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121231

0 1
S 1.155743 1.750913 0.428695
S -2.625635 -0.331265 -2.064313
O 1.082922 -0.937498 1.007286
N 4.903858 0.070588 -0.360630
N -1.001156 -0.000116 0.476638
C 3.555249 0.618142 -0.641581
C 5.899734 0.324176 -1.432645
C 4.861373 -1.344572 0.101949
C 2.958704 1.203799 0.652855
C -1.813289 1.159777 0.177906
C -1.650021 -1.296364 0.400113
C -2.627190 1.151274 -0.982029
C -2.457824 -1.583869 -0.727501
C 0.387755 0.060129 0.691511
C 6.367100 1.791841 -1.479501
C 6.040345 -1.713026 1.022550
C -1.868665 2.264964 1.059940
C -1.502043 -2.261441 1.421877
C -3.435228 2.264131 -1.298121
C -3.109156 -2.830525 -0.842500
C -2.659718 3.386898 0.735291
C -2.135082 -3.516428 1.296962
C -3.434565 3.392305 -0.448273
C -2.936403 -3.803222 0.167146
H 2.865847 -0.156172 -1.047936
H 3.628217 1.415742 -1.402231
H 6.777436 -0.317120 -1.231984
H 5.508978 0.019743 -2.436792
H 3.914513 -1.489197 0.654197
H 4.824979 -2.048971 -0.767019
H 3.501355 2.105172 0.980075
H 2.957385 0.455807 1.461249
H 5.528642 2.483279 -1.681978
H 6.817133 2.076813 -0.512510
H 7.118531 1.934726 -2.278672
H 7.014730 -1.604894 0.511628
H 6.048479 -1.056985 1.910533
H 5.953237 -2.763592 1.357786
H -1.277342 2.247391 1.980058
H -0.874732 -2.033821 2.286696
H -4.065156 2.241505 -2.193246
H -3.743979 -3.034331 -1.710886
H -2.679399 4.248211 1.410699
H -2.004824 -4.267560 2.082861
H -4.053852 4.260033 -0.698413
H -3.432985 -4.774789 0.074661


