%chk=000067686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067686

0 1
 S    3.470900       1.874100     -0.8537000    
 S    4.657400     -0.6575000      5.5500001E-02
 N   0.8241000       1.971500     -0.2812000    
 N    2.024100      1.4000000E-02  0.5367000    
 C   0.9876000       1.020700      0.8162000    
 C  -0.3582000       2.805900     -5.3900000E-02
 C    2.016200       2.806000     -0.3583000    
 C    1.747600      -1.298700       1.132100    
 C    3.288000      0.3346000      4.1000000E-03
 C   -1.616000       1.983500      3.7200000E-02
 C   0.6607000      -2.032300      0.3925000    
 C   -2.341800       1.715200      -1.115000    
 C   -2.031900       1.504800       1.271800    
 C  -0.1568000      -2.917800       1.081000    
 C   0.4910000      -1.812600     -0.9674000    
 C   -3.507000      0.9532000      -1.030900    
 C   -3.197100      0.7427000       1.355800    
 C   -1.164000      -3.597400      0.3960000    
 C  -0.5164000      -2.492200      -1.652400    
 C   -3.934600      0.4668000      0.2044000    
 C   -1.343700      -3.384600     -0.9706000    
 H   8.4799998E-02  0.4391000      0.9793000    
 H    1.247200       1.510900       1.764100    
 H  -0.4710000       3.524000     -0.8773000    
 H  -0.2522000       3.412900      0.8566000    
 H    1.882200       3.586000      -1.116100    
 H    2.225300       3.314600      0.5911000    
 H    1.457600      -1.124100       2.176400    
 H    2.622500      -1.950800       1.155200    
 H   -2.016300       2.086400      -2.082700    
 H   -1.480900       1.728000       2.181400    
 H  -2.3800001E-02  -3.091000       2.145100    
 H    1.127700      -1.139300      -1.532700    
 H   -4.080700      0.7372000      -1.927600    
 H   -3.532300      0.3674000       2.318200    
 H   -1.808400      -4.292100      0.9267000    
 H  -0.6547000      -2.329100      -2.717200    
 H   -4.841900     -0.1265000      0.2699000    
 H   -2.127800      -3.913900      -1.504100    


%chk=000067686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067686

0 1
S 3.151885 2.229669 -1.225511
S 3.919612 -0.608506 -1.740993
N 0.885130 2.221802 0.358465
N 2.089483 0.077073 0.191682
C 1.244545 0.989898 1.031588
C -0.410315 2.851203 0.693118
C 2.014385 3.077760 0.086254
C 2.015290 -1.350061 0.628505
C 2.958747 0.459130 -0.798682
C -1.620560 1.967835 0.399432
C 0.755215 -2.064195 0.156888
C -1.641045 1.103866 -0.723531
C -2.765886 2.047778 1.229469
C -0.181985 -2.571509 1.090123
C 0.522688 -2.257346 -1.230624
C -2.789781 0.335214 -1.010887
C -3.921557 1.288607 0.935194
C -1.333364 -3.265543 0.650572
C -0.625601 -2.950340 -1.669525
C -3.935683 0.429045 -0.187206
C -1.556980 -3.457405 -0.731059
H 0.322179 0.434060 1.270779
H 1.805637 1.171015 1.985169
H -0.473973 3.770808 0.077542
H -0.454710 3.184570 1.757966
H 1.696438 4.025178 -0.375860
H 2.658917 3.280529 0.967142
H 2.072165 -1.360245 1.735043
H 2.917353 -1.844441 0.225571
H -0.749700 1.030911 -1.356547
H -2.755653 2.706727 2.107443
H -0.007818 -2.433005 2.165316
H 1.254351 -1.874136 -1.951561
H -2.786046 -0.342935 -1.871203
H -4.802694 1.362111 1.582653
H -2.050855 -3.653255 1.382432
H -0.790155 -3.105259 -2.742076
H -4.826797 -0.167414 -0.412684
H -2.445462 -3.999593 -1.074197


