%chk=000074450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074450

1 1
 S    2.429500      -1.248500       1.466700    
 S   -1.903100     -0.7812000      0.4535000    
 N    3.072300      0.2964000     -0.3975000    
 N   -3.587500       1.273100      0.1074000    
 C    4.259100     -0.3119000     -4.0899999E-02
 C   -4.396000      0.1145000     -5.0799999E-02
 C    5.540600     -9.6199997E-02 -0.6126000    
 C   -5.792500     -6.0999999E-03 -0.3410000    
 C    4.092000      -1.219600      0.9987000    
 C    2.035700     -8.6199999E-02  0.2947000    
 C   -2.244000      0.9555000      0.3611000    
 C   -3.634600      -1.078100      0.1173000    
 C   0.1867000       1.439200      0.7987000    
 C    6.637400     -0.8297000     -9.4599999E-02
 C   -6.338200      -1.325700     -0.4258000    
 C   0.6993000      0.3822000      0.1304000    
 C   -1.207000       1.792400      0.5351000    
 C    5.171700      -1.947400       1.514100    
 C   -4.178600      -2.346700      2.8400000E-02
 C   0.9632000       2.244000       1.828000    
 C    6.436900      -1.738200      0.9542000    
 C    2.880000       1.286200      -1.435100    
 C   -5.532500      -2.460500     -0.2401000    
 C   -4.113100       2.623600      3.4200002E-02
 C    5.740800      0.8183000      -1.667300    
 C   -6.716400       1.050800     -0.5648000    
 C    7.909800     -0.6249000     -0.6508000    
 C   -7.700900      -1.528900     -0.7018000    
 C    7.015400       1.002600      -2.201300    
 C   -8.070900      0.8301000     -0.8397000    
 C    8.095800      0.2836000      -1.695100    
 C   -8.564100     -0.4601000     -0.9065000    
 C   0.8136000       1.697300       3.243200    
 H   0.1960000     -5.8100000E-02 -0.7251000    
 H   -1.367900       2.866600      0.5015000    
 H    5.039500      -2.655800       2.326000    
 H   -3.573100      -3.237100      0.1637000    
 H   0.6270000       3.288300       1.806800    
 H    2.028300       2.280400       1.570200    
 H    7.276300      -2.304100       1.355700    
 H    1.845300       1.618300      -1.553900    
 H    3.136400      0.8564000      -2.408200    
 H    3.436400       2.195600      -1.188200    
 H   -5.960200      -3.459800     -0.3084000    
 H   -3.360900       3.388000      0.2475000    
 H   -4.899000       2.776200      0.7811000    
 H   -4.481700       2.841500     -0.9731000    
 H    5.002000       1.432900      -2.141600    
 H   -6.420300       2.090400     -0.5397000    
 H    8.771900      -1.172400     -0.2753000    
 H   -8.109200      -2.536700     -0.7628000    
 H    7.169000       1.708200      -3.013000    
 H   -8.733700       1.675300      -1.002200    
 H    9.087500      0.4301000      -2.113700    
 H   -9.613600     -0.6367000      -1.119500    
 H  -0.2340000       1.720100       3.562200    
 H    1.168500      0.6686000       3.331900    
 H    1.389200       2.311300       3.943500    


%chk=000074450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074450

1 1
S 3.303917 1.032281 2.290853
S -1.652940 -0.510975 -0.430240
N 3.110049 0.517445 -0.288878
N -3.577934 1.103023 0.386434
C 4.467025 0.208313 0.025937
C -4.259580 0.106231 -0.372123
C 5.487770 -0.344965 -0.837088
C -5.682885 -0.048616 -0.578544
C 4.768728 0.500678 1.370769
C 2.307535 0.900397 0.784623
C -2.207997 0.910818 0.553161
C -3.362863 -0.811100 -0.955154
C 0.008861 1.700682 1.597959
C 6.832253 -0.419070 -0.282235
C -6.091742 -1.076023 -1.526050
C 0.912818 1.094392 0.685425
C -1.405941 1.681340 1.415449
C 6.071734 0.395717 1.918485
C -3.766334 -1.833495 -1.849479
C 0.471522 2.438452 2.851889
C 7.094513 -0.032578 1.076073
C 2.609123 0.672143 -1.675136
C -5.122912 -1.932885 -2.150341
C -4.192830 2.384361 0.804005
C 5.277112 -0.876926 -2.153995
C -6.713423 0.674739 0.111739
C 7.899681 -0.925898 -1.092038
C -7.485083 -1.261580 -1.803016
C 6.340453 -1.382911 -2.908420
C -8.065019 0.452376 -0.169616
C 7.668306 -1.388305 -2.387929
C -8.459204 -0.504892 -1.150890
C 0.381912 1.552695 4.127988
H 0.484364 0.734077 -0.256266
H -1.965107 2.320413 2.109470
H 6.265155 0.651171 2.963660
H -3.035216 -2.515465 -2.291716
H -0.175896 3.323866 2.997329
H 1.498547 2.826549 2.735844
H 8.118914 -0.108354 1.454958
H 1.855164 1.473764 -1.696764
H 2.158106 -0.260735 -2.055471
H 3.441513 0.975396 -2.325415
H -5.472351 -2.696819 -2.852550
H -3.428658 3.175789 0.763137
H -4.602499 2.329733 1.827901
H -4.992136 2.648053 0.097257
H 4.274722 -0.939875 -2.579597
H -6.466628 1.382600 0.904092
H 8.907883 -0.960324 -0.664547
H -7.775131 -2.028570 -2.529715
H 6.147837 -1.791196 -3.905825
H -8.829401 1.011082 0.380000
H 8.492263 -1.775891 -2.994608
H -9.520281 -0.659230 -1.368896
H -0.656742 1.221972 4.304568
H 1.012378 0.649838 4.047363
H 0.716671 2.123690 5.011576


