%chk=000172995.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172995

0 1
 S   -6.826400      -1.272900     -0.2022000    
 O   -6.509800      -2.644800      0.1685000    
 O   -7.914600     -0.5755000      0.4697000    
 N  -0.6541000       1.379500      0.1659000    
 N   -1.860300       1.956700      0.3132000    
 C    3.324300      -1.955500      0.5963000    
 C    5.638400     -0.3173000     -0.5562000    
 C    4.807400      -2.382000      0.6684000    
 C    5.607600      -1.861300     -0.5135000    
 C    3.179300     -0.4729000      0.2300000    
 C    4.248300      0.2833000     -0.3112000    
 C    2.585200      -2.801900     -0.4638000    
 C    2.711800      -2.269900       1.982100    
 C    6.606400      0.2187000      0.5217000    
 C    6.196900      6.9700003E-02  -1.946500    
 C    1.926500      0.1579000      0.4010000    
 C    4.029700       1.649600     -0.5981000    
 C    1.733000       1.502700      9.1399997E-02
 C    2.788500       2.251800     -0.4012000    
 C   0.4298000       2.118000      0.2859000    
 C   0.3583000       3.611600      0.6234000    
 C   -3.033400       1.194200      0.1908000    
 C   -4.285200       1.809000      0.2837000    
 C   -2.956400     -0.1851000     -2.3900000E-02
 C   -5.368200     -0.3247000     -5.1100001E-02
 C   -5.450100       1.051300      0.1632000    
 C   -4.121300     -0.9428000     -0.1446000    
 C   -7.191500      -1.247400      -1.942700    
 H    4.884800      -3.476500      0.7024000    
 H    5.262500      -2.022500       1.600000    
 H    6.629500      -2.258600     -0.4604000    
 H    5.181300      -2.259900      -1.442700    
 H    1.506700      -2.604100     -0.4567000    
 H    2.940000      -2.590000      -1.478400    
 H    2.719500      -3.873600     -0.2779000    
 H    1.623100      -2.153800       1.997300    
 H    2.920500      -3.305500       2.276200    
 H    3.125500      -1.612900       2.756200    
 H    6.739400       1.304000      0.4395000    
 H    6.242800      1.9400001E-02   1.535700    
 H    7.598200     -0.2377000      0.4247000    
 H    6.405800       1.141200      -2.031700    
 H    7.140500     -0.4513000      -2.148300    
 H    5.492200     -0.1942000      -2.743900    
 H    1.088900     -0.4197000      0.7849000    
 H    4.834300       2.270600     -0.9835000    
 H    2.679000       3.297300     -0.6735000    
 H  -9.9999998E-03   4.162000     -0.2468000    
 H  -0.3153000       3.768900       1.471300    
 H    1.327900       4.015600      0.9228000    
 H   -1.962900       2.956000      0.4377000    
 H   -4.363600       2.880800      0.4491000    
 H   -2.002600     -0.7005000     -0.1019000    
 H   -6.410600       1.554000      0.2329000    
 H   -4.033800      -2.011800     -0.3179000    
 H   -6.357300      -1.694200      -2.487100    
 H   -8.099000      -1.832200      -2.107200    
 H   -7.351900     -0.2144000      -2.257200    


%chk=000172995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172995

0 1
S -6.843245 -1.382505 0.108783
O -6.424346 -2.878831 0.628912
O -8.025968 -0.499755 0.822673
N -0.579462 1.493352 0.072899
N -1.836972 2.052269 0.172714
C 3.189970 -1.966663 0.361763
C 5.747327 -0.341295 -0.378077
C 4.648188 -2.472007 0.552399
C 5.618151 -1.887249 -0.486051
C 3.176180 -0.439717 0.114173
C 4.351246 0.302757 -0.232910
C 2.533019 -2.681670 -0.858705
C 2.389865 -2.337926 1.643470
C 6.612836 0.036649 0.863745
C 6.472301 0.164136 -1.659070
C 1.942142 0.243736 0.211075
C 4.220033 1.703857 -0.421085
C 1.809300 1.642487 0.007162
C 2.988465 2.371926 -0.304811
C 0.479238 2.295427 0.111463
C 0.348536 3.803917 0.263596
C -2.977493 1.239562 0.143001
C -4.259515 1.852197 0.261927
C -2.872242 -0.175565 0.011504
C -5.287766 -0.325400 0.083580
C -5.425335 1.065852 0.235750
C -4.037270 -0.963088 -0.011915
C -7.348750 -1.573417 -1.731336
H 4.649604 -3.578347 0.496869
H 4.992236 -2.208251 1.572487
H 6.623733 -2.336292 -0.366120
H 5.274666 -2.150476 -1.506437
H 1.500940 -2.319663 -1.017123
H 3.095351 -2.498259 -1.791744
H 2.493248 -3.774030 -0.686185
H 1.308673 -2.137843 1.540084
H 2.507067 -3.417825 1.854580
H 2.759497 -1.773774 2.519213
H 6.700108 1.133870 0.963927
H 6.172503 -0.348469 1.800669
H 7.632080 -0.382217 0.761265
H 6.735742 1.235374 -1.601155
H 7.414442 -0.399338 -1.798873
H 5.844310 0.013389 -2.556065
H 1.032862 -0.309252 0.463047
H 5.107536 2.293177 -0.676874
H 2.954261 3.451537 -0.485745
H -0.135613 4.266958 -0.620283
H -0.260072 4.060632 1.155094
H 1.325117 4.287154 0.400598
H -1.965560 3.066960 0.266916
H -4.340247 2.939314 0.384081
H -1.880126 -0.624681 -0.063496
H -6.418350 1.510020 0.362699
H -3.980916 -2.055429 -0.072233
H -6.517741 -2.078388 -2.242407
H -8.258816 -2.189129 -1.708764
H -7.539470 -0.563359 -2.118854


