%chk=000112710.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112710

1 1
 S  -0.4001000      -1.220800     -0.3189000    
 N   -1.930500      0.9714000     -0.1468000    
 N    2.636400      0.5655000      0.4400000    
 C   -2.843800     -0.1135000     -4.7800001E-02
 C  -0.6050000      0.5395000     -0.3109000    
 C   -2.171000      -1.367700     -0.1134000    
 C   -4.267700     -0.1131000      9.9200003E-02
 C    1.866300      0.7646000     -0.6305000    
 C   -2.337500       2.361600     -6.2899999E-02
 C    3.893300      9.1100000E-02  0.3506000    
 C   0.5029000       1.284900     -0.4627000    
 C   -4.923000      -1.381500      0.1892000    
 C    4.422700     -0.2092000     -0.9240000    
 C    2.071500      0.8843000       1.764400    
 C   -2.821500      -2.585300     -2.8200001E-02
 C    2.323200      0.4915000      -1.902800    
 C   -4.197700      -2.582200      0.1268000    
 C    3.615400     -6.9999998E-04  -2.050500    
 C   -5.123200       1.020300      0.1616000    
 C    4.664400     -0.1019000       1.501100    
 C    5.733500     -0.7035000      -1.013700    
 C   -2.873500       2.863900      -1.387700    
 C   -6.317400      -1.466500      0.3401000    
 C    6.497600     -0.8937000      0.1396000    
 C    2.350500       2.323900       2.152000    
 C    5.964500     -0.5937000       1.392700    
 C   -6.510900      0.9172000      0.3110000    
 C   -7.108500     -0.3265000      0.4021000    
 C    7.889200      -1.419900      3.0500000E-02
 H   -3.018800       2.526100      0.7761000    
 H   -1.485900       2.997800      0.2075000    
 H   0.4484000       2.369200     -0.4776000    
 H   0.9944000      0.7066000       1.783800    
 H    2.418900      0.1741000       2.518000    
 H   -2.281000      -3.525000     -7.9099998E-02
 H    1.704800      0.6515000      -2.780900    
 H   -4.708900      -3.541400      0.1954000    
 H    3.988000     -0.2201000      -3.048400    
 H   -4.770000       2.036900      0.1014000    
 H    4.341400      0.1363000       2.506800    
 H    6.159200     -0.9388000      -1.987400    
 H   -2.062800       2.928000      -2.122600    
 H   -3.638100       2.217100      -1.825200    
 H   -3.293100       3.868200      -1.271900    
 H   -6.808700      -2.436000      0.4100000    
 H    3.425300       2.521300       2.206700    
 H    1.916600       2.541900       3.132800    
 H    1.924200       3.027100       1.430600    
 H    6.557800     -0.7312000       2.293100    
 H   -7.118300       1.816900      0.3553000    
 H   -8.184300     -0.4120000      0.5183000    
 H    8.179400      -1.965700      0.9348000    
 H    8.592000     -0.5944000     -0.1203000    
 H    7.981400      -2.118600     -0.8080000    


%chk=000112710-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112710

1 1
S -0.987812 -1.934065 -0.620366
N -2.095017 0.328510 0.171885
N 2.776940 0.565119 0.740062
C -3.208998 -0.495258 -0.193711
C -0.831658 -0.228000 -0.031957
C -2.791009 -1.778502 -0.597764
C -4.624453 -0.173885 -0.200881
C 1.718567 -0.028042 0.032427
C -2.220085 1.640622 0.868918
C 4.135121 0.264213 0.464885
C 0.377978 0.422790 0.268614
C -5.534619 -1.272401 -0.504565
C 4.451669 -0.764885 -0.488725
C 2.478605 1.522486 1.849859
C -3.676769 -2.831682 -0.932005
C 2.059149 -1.039530 -0.936155
C -5.041784 -2.574964 -0.851342
C 3.369269 -1.406043 -1.179787
C -5.207914 1.122025 0.011713
C 5.209832 0.939666 1.111503
C 5.812682 -1.103339 -0.745820
C -2.098524 2.853377 -0.075700
C -6.949238 -1.044573 -0.493605
C 6.872095 -0.453532 -0.094230
C 2.438122 2.996208 1.396644
C 6.536409 0.580381 0.834765
C -6.593332 1.310562 -0.001066
C -7.479348 0.218391 -0.233136
C 8.319874 -0.811652 -0.357164
H -3.178346 1.637409 1.407714
H -1.441602 1.677472 1.651429
H 0.271786 1.414686 0.708007
H 1.519693 1.217136 2.300346
H 3.240862 1.376032 2.631220
H -3.297594 -3.813625 -1.227036
H 1.259712 -1.479500 -1.533270
H -5.762926 -3.367426 -1.075918
H 3.595071 -2.167653 -1.933610
H -4.586637 2.006235 0.147454
H 5.031834 1.753160 1.817592
H 6.021605 -1.893417 -1.476567
H -1.118973 2.875959 -0.583558
H -2.875477 2.839945 -0.858550
H -2.208747 3.788183 0.502020
H -7.612895 -1.888791 -0.711003
H 3.399745 3.310374 0.956561
H 2.231607 3.646170 2.265013
H 1.654039 3.175540 0.639788
H 7.344821 1.116306 1.345460
H -7.000188 2.314677 0.156820
H -8.561607 0.378694 -0.229616
H 8.818035 -1.160559 0.566326
H 8.889173 0.064424 -0.718850
H 8.413253 -1.609630 -1.111769


