%chk=000004106.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004106

0 1
 S  -0.1399000      0.9853000       1.875600    
 S    4.817100      -2.277300     -0.4135000    
 N   -1.315300     -0.9799000     -0.2970000    
 N   -3.559200      -2.789900     -7.9099998E-02
 C  -0.1039000     -0.4808000     -0.9447000    
 C   -2.469500     -0.8753000      -1.198100    
 C   -1.135400      -2.367700      0.1468000    
 C   -3.740000      -1.402100     -0.5221000    
 C   -2.406100      -2.893200      0.8234000    
 C  -0.2929000      0.9217000      -1.545700    
 C    1.134000     -0.5561000     -7.4900001E-02
 C  -0.4803000       2.171300     -0.7052000    
 C    1.227100      9.3699999E-02   1.167100    
 C   -4.770800      -3.290500      0.5672000    
 C    2.248200      -1.275200     -0.5452000    
 C  -0.4125000       2.296800      0.6944000    
 C  -0.7289000       3.342200      -1.462900    
 C    2.410200      2.6000000E-03   1.916400    
 C    3.422300      -1.354900      0.2030000    
 C  -0.6112000       3.565200       1.282300    
 C    3.503200     -0.7156000       1.434200    
 C  -0.9156000       4.588100     -0.8674000    
 C  -0.8577000       4.699300      0.5110000    
 C    5.177200      -1.407500      -1.965700    
 H   7.8900002E-02  -1.131900      -1.814300    
 H   -2.295700      -1.417200      -2.137300    
 H   -2.699100      0.1661000      -1.442200    
 H  -0.3294000      -2.453200      0.8839000    
 H  -0.8756000      -3.020400     -0.6982000    
 H   -4.563600      -1.348700      -1.244500    
 H   -4.004800     -0.7531000      0.3240000    
 H   -2.585500      -2.337800       1.754200    
 H   -2.242800      -3.943000       1.096100    
 H   -1.060200      0.9054000      -2.329700    
 H   0.6345000       1.119600      -2.109700    
 H   -4.646800      -4.340200      0.8555000    
 H   -5.619100      -3.253000     -0.1252000    
 H   -5.031200      -2.715300       1.463100    
 H    2.185300      -1.780500      -1.507300    
 H  -0.7773000       3.282800      -2.549500    
 H    2.494500      0.4888000       2.886000    
 H  -0.5743000       3.688300       2.364100    
 H    4.406900     -0.7663000       2.036400    
 H   -1.105200       5.463300      -1.481000    
 H   -1.003700       5.662800      0.9896000    
 H    6.086800      -1.824100      -2.406300    
 H    5.336300     -0.3425000      -1.776600    
 H    4.358400      -1.532100      -2.678900    


%chk=000004106-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004106

0 1
S 0.307993 1.238122 2.005506
S 5.212040 -2.308949 -0.330432
N -0.948039 -0.660219 -0.464053
N -3.271944 -2.391193 -0.204892
C 0.318860 -0.139831 -1.043891
C -2.086501 -0.574378 -1.414308
C -0.828813 -2.047092 0.056052
C -3.392941 -1.012575 -0.733200
C -2.135014 -2.472539 0.742956
C 0.198053 1.364225 -1.463198
C 1.517687 -0.332326 -0.117126
C -0.643716 2.279070 -0.581094
C 1.628442 0.299242 1.146684
C -4.532666 -2.877336 0.386578
C 2.605990 -1.114406 -0.580753
C -0.626198 2.314530 0.839275
C -1.496207 3.206542 -1.244031
C 2.802174 0.121548 1.923824
C 3.772655 -1.301527 0.193203
C -1.439587 3.241476 1.545724
C 3.864502 -0.676234 1.462303
C -2.302870 4.131094 -0.551594
C -2.274962 4.144573 0.861312
C 4.673970 -2.946633 -2.009846
H 0.565746 -0.698911 -1.987578
H -1.909220 -1.220933 -2.312441
H -2.204123 0.468888 -1.752337
H -0.004677 -2.087640 0.788372
H -0.600056 -2.772129 -0.766753
H -4.216426 -0.985525 -1.471995
H -3.631609 -0.279197 0.079185
H -2.296533 -1.816309 1.635900
H -2.040659 -3.517205 1.094985
H -0.219200 1.413180 -2.485866
H 1.230101 1.758897 -1.541295
H -4.409190 -3.924887 0.716092
H -5.335366 -2.849661 -0.372557
H -4.869775 -2.274750 1.268576
H 2.508001 -1.585738 -1.564682
H -1.516757 3.192887 -2.341451
H 2.885655 0.622626 2.894152
H -1.408603 3.255883 2.641517
H 4.761701 -0.798649 2.078782
H -2.942197 4.828239 -1.103502
H -2.891047 4.851521 1.427433
H 5.508382 -3.570597 -2.365297
H 4.514027 -2.113348 -2.711963
H 3.766318 -3.563827 -1.920174


