%chk=000072744.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072744

0 1
 S  -0.3851000      -4.053200     -7.4900001E-02
 S    6.373600       1.108500      0.5130000    
 O   -1.432800       2.594900     -0.4935000    
 O   -4.986700      -1.271400      0.4889000    
 O   -1.005600      -4.753400      -1.413500    
 O    1.059200      -4.026100     -0.2355000    
 O  -0.9960000      -4.672900       1.088200    
 O    6.934200       2.303800     -0.1059000    
 O    6.539400      0.9080000       1.947400    
 N   0.5530000      0.9123000     -0.6853000    
 N   -3.202900      -3.140000      0.3405000    
 C   -1.790000      0.2682000     -0.2168000    
 C   -2.718400     -0.7431000      3.8800001E-02
 C  -0.4440000     -5.5900000E-02 -0.4249000    
 C   -2.300900      -2.078600      8.5800000E-02
 C  -0.9587000      -2.397200     -0.1223000    
 C   -3.640100       2.009300     -4.8200000E-02
 C   -2.217000       1.681300     -0.2700000    
 C   -4.568500      0.9980000      0.2078000    
 C   -4.141600     -0.4152000      0.2607000    
 C  -3.2099999E-02  -1.388100     -0.3770000    
 C    1.929400      0.9590000     -0.4019000    
 C   -4.057600       3.344700     -9.5899999E-02
 C   -5.914500       1.322100      0.4161000    
 C   -5.399900       3.663300      0.1122000    
 C   -6.326400       2.654200      0.3674000    
 C    2.796200       1.657400      -1.245900    
 C    2.436200      0.3071000      0.7249000    
 C    4.664500       1.051300      0.1611000    
 C    4.161800       1.703400     -0.9649000    
 C    3.801700      0.3532000       1.006000    
 C    6.979900     -0.2805000     -0.3275000    
 C    8.289700     -0.5244000     -0.2550000    
 H    1.004400      -1.642500     -0.5758000    
 H   0.2184000       1.709400      -1.218200    
 H   -3.357000       4.151700     -0.2930000    
 H   -6.658400      0.5559000      0.6171000    
 H   -2.895300      -4.101800      0.3425000    
 H   -4.183000      -2.951700      0.4961000    
 H   -5.723200       4.699600      7.5000003E-02
 H   -7.370800       2.905100      0.5290000    
 H    2.417400       2.168000      -2.127800    
 H    1.786400     -0.2242000       1.415000    
 H    4.816300       2.247400      -1.640000    
 H    4.171100     -0.1632000       1.887500    
 H  -0.7134000      -4.361800      -2.270100    
 H    6.314300     -0.9241000     -0.8905000    
 H    8.711700      -1.383200     -0.7662000    
 H    8.968900      0.1099000      0.3043000    


%chk=000072744-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072744

0 1
S -0.433447 -4.160216 0.117768
S 6.585139 0.876728 0.694924
O -1.318421 2.639663 -0.453051
O -5.189923 -1.236886 0.263821
O -0.657935 -4.435628 -1.700718
O 1.141665 -4.192280 0.471231
O -1.459563 -5.148148 0.903616
O 7.120874 2.363090 0.254237
O 6.845679 0.223785 2.174389
N 0.558044 0.929523 -0.192364
N -3.399487 -3.090587 0.402848
C -1.815174 0.297836 -0.079241
C -2.827976 -0.717036 0.073713
C -0.415302 -0.052957 -0.065678
C -2.468830 -2.114503 0.206259
C -1.059128 -2.394470 0.123275
C -3.635620 2.077848 -0.203450
C -2.204736 1.713270 -0.252341
C -4.631544 1.076572 -0.025906
C -4.257836 -0.352986 0.109920
C -0.068678 -1.438258 -0.008271
C 1.950840 0.842707 0.021140
C -4.017568 3.437987 -0.338933
C -5.999908 1.446030 0.015597
C -5.377257 3.796385 -0.293732
C -6.371137 2.797401 -0.115912
C 2.772930 1.773623 -0.680872
C 2.548526 -0.057107 0.951761
C 4.720769 0.848199 0.398450
C 4.166155 1.784842 -0.490440
C 3.944671 -0.054980 1.142189
C 7.300990 -0.353585 -0.566873
C 8.053130 0.137223 -1.565119
H 0.972750 -1.757862 -0.107458
H 0.129176 1.865823 -0.412534
H -3.231298 4.185973 -0.476209
H -6.744264 0.655997 0.151157
H -3.106324 -4.058456 0.578634
H -4.384748 -2.768908 0.422301
H -5.670590 4.846436 -0.395597
H -7.428629 3.079874 -0.081572
H 2.307932 2.480227 -1.376590
H 1.930299 -0.714762 1.568547
H 4.809216 2.507679 -1.003051
H 4.417153 -0.708027 1.883603
H -0.403976 -5.383826 -1.902473
H 7.067813 -1.389570 -0.305554
H 8.528627 -0.528716 -2.294378
H 8.214721 1.219532 -1.656264


