%chk=000173453.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173453

0 1
 S    5.563000      -1.483100     -4.3400001E-02
 O    5.758000      -1.814100      -1.632600    
 O    6.559300     -0.4814000      0.3069000    
 O    5.495500      -2.745500      0.6759000    
 N  -0.9764000      0.3067000      0.5931000    
 N    3.552800       3.495800     -0.2716000    
 N   -1.472000     -3.0999999E-02 -0.5056000    
 C    2.593500       1.252300      6.1700001E-02
 C    1.450000      0.4476000      0.2796000    
 C    3.854600      0.6420000     -3.5799999E-02
 C   0.1907000       1.059200      0.3768000    
 C    3.986500     -0.7421000      8.0300003E-02
 C    2.442300       2.643900     -5.2900001E-02
 C    1.601400     -0.9440000      0.3938000    
 C    2.862100      -1.533400      0.2948000    
 C   5.7399999E-02   2.442200      0.2614000    
 C    1.181900       3.233600      4.6599999E-02
 C   -3.898400     -0.1725000     -0.1918000    
 C   -5.041800     -0.9773000      2.6000001E-02
 C   -2.637400     -0.7828000     -0.2901000    
 C   -4.049700       1.219100     -0.3057000    
 C   -4.890500      -2.368900      0.1395000    
 C   -2.505400      -2.166900     -0.1747000    
 C   -6.302900     -0.3668000      0.1243000    
 C   -3.629900      -2.958400      3.9700001E-02
 C   -5.310100       1.808700     -0.2055000    
 C   -6.434400       1.017300      9.2000002E-03
 H    4.752100       1.225500     -0.2126000    
 H   0.7497000      -1.597400      0.5658000    
 H    2.939400      -2.613500      0.3817000    
 H  -0.9184000       2.914400      0.3396000    
 H    1.062100       4.310600     -4.0899999E-02
 H   -3.198600       1.872600     -0.4797000    
 H   -5.755500      -3.007300      0.3071000    
 H   -1.529700      -2.639600     -0.2530000    
 H   -7.195600     -0.9659000      0.2917000    
 H    4.495600       3.147400     -0.3501000    
 H    3.398600       4.493300     -0.3482000    
 H   -3.526700      -4.035900      0.1289000    
 H   -5.413800       2.886100     -0.2967000    
 H   -7.415500       1.477000      8.6700000E-02
 H    5.752300      -1.030600      -2.231400    


%chk=000173453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173453

0 1
S 6.051071 -1.299658 0.278693
O 6.236122 -1.801681 -1.503774
O 7.055232 -0.064825 0.577739
O 6.111527 -2.645033 1.176512
N -0.699748 -0.097833 -0.076721
N 3.631125 3.573899 -0.291851
N -1.913644 0.409210 -0.083013
C 2.822421 1.245978 -0.094326
C 1.695850 0.334658 -0.042244
C 4.144317 0.711231 -0.006557
C 0.347762 0.852936 -0.127700
C 4.303559 -0.659944 0.135282
C 2.583566 2.672174 -0.236154
C 1.938383 -1.071351 0.106690
C 3.232210 -1.585837 0.194636
C 0.159352 2.249056 -0.265614
C 1.246339 3.137253 -0.319951
C -4.309079 -0.014952 0.054064
C -5.429980 -0.934368 0.047041
C -2.967428 -0.550313 -0.079639
C -4.566352 1.386827 0.198394
C -5.187113 -2.338837 -0.094923
C -2.773636 -1.940918 -0.219832
C -6.760993 -0.414983 0.184050
C -3.881086 -2.828712 -0.227032
C -5.874181 1.861918 0.329870
C -6.981971 0.955941 0.323300
H 5.041793 1.338600 -0.029707
H 1.067774 -1.729922 0.149823
H 3.424061 -2.654914 0.320847
H -0.867009 2.621988 -0.333664
H 1.064237 4.212834 -0.431439
H -3.712266 2.068815 0.203455
H -6.040558 -3.027281 -0.101760
H -1.751849 -2.316101 -0.329101
H -7.603612 -1.116679 0.178372
H 4.603315 3.285061 -0.238884
H 3.441033 4.568386 -0.387135
H -3.709221 -3.904739 -0.339983
H -6.057352 2.936742 0.438797
H -8.001462 1.343145 0.427601
H 7.083593 -2.330870 -1.575364


