%chk=000104699.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104699

0 1
 S    2.621600       2.084100      0.4562000    
 S   -2.630400       2.080500     -0.4677000    
 N   9.9999997E-05  -2.164900      6.5000001E-03
 N    3.724700      0.9996000     -0.1811000    
 N   -3.726800      0.9962000      0.1790000    
 N   -1.182200     -0.1515000     -0.2071000    
 N    1.181000     -0.1487000      0.2087000    
 N  -1.9000000E-03   1.927900     -5.7999999E-03
 C   -1.230500      -2.898400     -0.2082000    
 C    1.233700      -2.896600      0.2114000    
 C  -1.9999999E-04 -0.7532000      2.7999999E-03
 C   -1.438400      -3.147300      -1.689800    
 C    1.458400      -3.137300       1.691900    
 C    5.034700      0.8872000      0.4657000    
 C    3.893500      0.9550000      -1.636900    
 C   -5.038600      0.8796000     -0.4634000    
 C   -3.891500      0.9602000       1.635500    
 C    1.103700       1.191700      0.1908000    
 C   -1.106600       1.189100     -0.1980000    
 C    4.878200      0.9316000       1.973600    
 C    4.540700     -0.3536000      -2.047800    
 C   -4.886500      0.9151000      -1.971900    
 C   -4.536700     -0.3463000       2.055900    
 H   -2.100000      -2.387500      0.2219000    
 H   -1.180500      -3.867000      0.3048000    
 H    2.097600      -2.387000     -0.2311000    
 H    1.179400      -3.868200     -0.2953000    
 H    5.709200       1.692800      0.1497000    
 H    5.515600     -6.9399998E-02  0.2400000    
 H    4.480000       1.807100      -2.002400    
 H    2.916000       1.005900      -2.133300    
 H   -5.518400     -7.5999998E-02 -0.2308000    
 H   -5.712900       1.686500     -0.1501000    
 H   -2.912600       1.014700       2.128900    
 H   -4.477600       1.814000       1.997600    
 H   -2.352700      -3.726800      -1.851900    
 H  -0.6020000      -3.707000      -2.121500    
 H   -1.532100      -2.207500      -2.243900    
 H    2.374400      -3.716200       1.846900    
 H   0.6265000      -3.694500       2.135600    
 H    1.558300      -2.194700       2.240100    
 H    4.624200       1.927200       2.351600    
 H    4.140100      0.2060000       2.334500    
 H    5.834100      0.6666000       2.441200    
 H    5.616600     -0.3735000      -1.849200    
 H    4.069700      -1.215300      -1.562300    
 H    4.426000     -0.4911000      -3.129200    
 H   -5.843300      0.6458000      -2.435100    
 H   -4.148300      0.1886000      -2.330700    
 H   -4.635200       1.908800      -2.356900    
 H   -4.419100     -0.4772000       3.137800    
 H   -4.066500      -1.210500       1.574200    
 H   -5.613300     -0.3680000       1.860300    


%chk=000104699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104699

0 1
S 2.632792 2.293363 -0.346776
S -2.635584 2.289342 0.342454
N 0.002847 -2.126136 0.004146
N 3.953648 1.064148 -0.521458
N -3.954363 1.058131 0.518636
N -1.214428 -0.106790 0.142180
N 1.216113 -0.104869 -0.140246
N -0.001135 1.987714 -0.001877
C -1.261365 -2.881770 0.167840
C 1.268497 -2.879774 -0.157425
C 0.001476 -0.757184 0.001964
C -1.937813 -3.197138 -1.183009
C 1.944493 -3.191887 1.194419
C 4.933186 1.079569 0.600758
C 4.549933 1.015640 -1.888463
C -4.933404 1.070116 -0.604058
C -4.551058 1.010620 1.885474
C 1.134588 1.237618 -0.140959
C -1.135455 1.235857 0.139015
C 4.300171 0.682215 1.942705
C 5.012169 -0.412237 -2.244007
C -4.298960 0.672080 -1.945139
C -5.011568 -0.417389 2.242758
H -1.943220 -2.276851 0.787595
H -1.022739 -3.815011 0.711917
H 1.949664 -2.274496 -0.777576
H 1.031994 -3.814287 -0.700265
H 5.448530 2.065059 0.694324
H 5.709213 0.337613 0.331354
H 5.401007 1.729795 -1.992827
H 3.770910 1.333279 -2.602122
H -5.708143 0.327057 -0.334004
H -5.450558 2.054492 -0.699277
H -3.772666 1.330193 2.598957
H -5.403102 1.723794 1.988665
H -2.851088 -3.799012 -1.022181
H -1.264754 -3.765272 -1.850986
H -2.224627 -2.258867 -1.687739
H 2.858976 -3.792343 1.035160
H 1.271988 -3.760283 1.862734
H 2.229227 -2.252401 1.698091
H 3.540838 1.419875 2.256758
H 3.808189 -0.301405 1.850909
H 5.074471 0.627536 2.730296
H 5.814201 -0.768551 -1.572613
H 4.161070 -1.110448 -2.165873
H 5.404209 -0.437292 -3.278238
H -5.072848 0.614167 -2.732900
H -3.804656 -0.310198 -1.851475
H -3.541306 1.411029 -2.260211
H -5.403503 -0.441677 3.277046
H -4.159626 -1.114664 2.165387
H -5.813227 -0.775470 1.571861


