%chk=000009429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009429

0 1
 S  -0.3508000      -2.755000      -1.599700    
 S   -4.753300       1.541400     -0.1597000    
 O   -4.094600       2.757300      0.3052000    
 O   -5.664900       1.635400      -1.294700    
 N    2.953200       1.329800     -0.4797000    
 N    5.792500       1.799100     -0.2037000    
 N   1.8900000E-02 -0.4342000      0.4352000    
 N   -5.591200      0.8187000       1.170200    
 C    3.902300      0.8873000      -1.508700    
 C    3.465400       2.518800      0.2121000    
 C    1.640000       1.594700      -1.064300    
 C    5.280200      0.6111000     -0.8973000    
 C    4.842900       2.242000      0.8245000    
 C   0.5935000       1.924700      4.4999998E-03
 C   0.3995000      0.8384000       1.061800    
 C    7.104900       1.532600      0.3821000    
 C   -1.244300     -0.4943000     -0.2059000    
 C   0.9133000      -1.525200      0.5778000    
 C   -1.541000      -1.514600      -1.131300    
 C   0.8302000      -2.647600     -0.2698000    
 C   -2.270400      0.4342000      7.5099997E-02
 C   -3.519900      0.3674000     -0.5473000    
 C    1.898300      -1.557500       1.589100    
 C   -2.798300      -1.574100      -1.758400    
 C   -3.783100     -0.6360000      -1.467300    
 C    1.714200      -3.730800     -0.1188000    
 C    2.771200      -2.638800       1.738000    
 C    2.681100      -3.725300      0.8812000    
 C   -6.236400     -0.4990000      0.9411000    
 C   -4.953100      0.8996000       2.508700    
 H    3.540900     -3.8800001E-02  -1.972200    
 H    3.995000       1.637800      -2.305400    
 H    3.530100       3.375900     -0.4719000    
 H    2.819200       2.810100       1.045500    
 H    1.302800      0.7214000      -1.635700    
 H    1.691900       2.426900      -1.779000    
 H    5.213700     -0.2448000     -0.2116000    
 H    5.965800      0.3291000      -1.705600    
 H    5.206100       3.166400       1.289800    
 H    4.748600       1.490400       1.620300    
 H  -0.3453000       2.127000     -0.5231000    
 H   0.8202000       2.873900      0.5031000    
 H  -0.3403000       1.145100       1.810500    
 H    1.329900      0.8184000       1.628500    
 H    7.821600       1.246200     -0.3954000    
 H    7.070400      0.7330000       1.130800    
 H    7.502900       2.434900      0.8595000    
 H   -2.122500       1.218300      0.8109000    
 H    1.998900     -0.7839000       2.342500    
 H   -3.024300      -2.355700      -2.481000    
 H   -4.745800     -0.7146000      -1.963400    
 H    1.657900      -4.593100     -0.7801000    
 H    3.510900      -2.633000       2.533400    
 H    3.356000      -4.568200      0.9932000    
 H   -7.018300     -0.6570000       1.690700    
 H   -6.719300     -0.5278000     -3.9500002E-02
 H   -5.507000      -1.310300       1.015900    
 H   -4.623100       1.920800       2.716600    
 H   -4.101800      0.2167000       2.574600    
 H   -5.680400      0.6319000       3.281900    


%chk=000009429-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000009429

0 1
S -0.119084 -2.517860 -1.929386
S -4.766361 1.539279 0.070305
O -3.984502 2.761605 0.807988
O -5.780166 1.749476 -1.182837
N 3.090461 1.616424 -0.519926
N 5.964256 1.922373 -0.280315
N 0.134066 -0.458487 0.330216
N -5.826578 0.744882 1.432529
C 4.022851 0.839021 -1.376661
C 3.699076 2.920076 -0.152811
C 1.735888 1.753188 -1.111459
C 5.359038 0.620810 -0.648807
C 5.038403 2.704148 0.570968
C 0.647440 1.982871 -0.038882
C 0.584309 0.808759 0.964735
C 7.301097 1.775447 0.323851
C -1.159772 -0.515265 -0.251314
C 0.854925 -1.671160 0.577216
C -1.464962 -1.464769 -1.273114
C 0.796273 -2.746852 -0.350539
C -2.192240 0.373313 0.156689
C -3.442271 0.294360 -0.473018
C 1.626641 -1.853806 1.756577
C -2.743732 -1.533378 -1.862065
C -3.761424 -0.628599 -1.480733
C 1.475527 -3.958086 -0.117432
C 2.339895 -3.052157 1.974765
C 2.268974 -4.110957 1.042830
C -6.596968 -0.400597 0.896844
C -5.005244 0.459292 2.630708
H 3.561540 -0.140302 -1.601598
H 4.225745 1.361942 -2.344322
H 3.875749 3.550730 -1.060232
H 3.010471 3.470458 0.514307
H 1.503777 0.815896 -1.651508
H 1.692809 2.580427 -1.861850
H 5.177325 -0.018988 0.253345
H 6.057750 0.081187 -1.315506
H 5.500550 3.684995 0.791276
H 4.840566 2.187897 1.546623
H -0.325041 2.144319 -0.538388
H 0.858603 2.904914 0.536699
H -0.044041 1.067489 1.842251
H 1.618198 0.652947 1.312129
H 7.969541 1.243924 -0.377258
H 7.293268 1.208767 1.290364
H 7.734069 2.773476 0.517706
H -2.022656 1.137732 0.920000
H 1.663974 -1.063348 2.511124
H -2.934892 -2.274448 -2.644774
H -4.736734 -0.614041 -1.975107
H 1.395313 -4.770408 -0.847510
H 2.938846 -3.160776 2.885327
H 2.814556 -5.044124 1.214468
H -7.411099 -0.611389 1.613966
H -7.056237 -0.103565 -0.060547
H -5.995854 -1.327791 0.759526
H -4.390115 1.345498 2.859053
H -4.355934 -0.440257 2.532627
H -5.700862 0.300587 3.474686


