%chk=000124396.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124396

0 1
 S    1.390200       1.014300     -0.3952000    
 O   -3.004300       2.903500     -0.2709000    
 N   -1.033800     -0.2220000     -0.4684000    
 N   0.6426000      -1.528500      0.1817000    
 N    5.358800      0.6565000      0.3833000    
 C   -1.754300      0.9497000     -0.9184000    
 C   -1.598300      -1.447900     -0.2254000    
 C   0.3052000     -0.3205000     -0.2111000    
 C  -0.5316000      -2.245900      0.1789000    
 C   -2.275700       1.793400      0.2372000    
 C    2.968400      0.2562000      8.5199997E-02
 C    4.095600       1.277200     -4.6999999E-03
 C   -2.910200      -1.913200     -0.3215000    
 C  -0.7694000      -3.590400      0.5108000    
 C   -3.128800      -3.253600      1.2800000E-02
 C   -2.078800      -4.079000      0.4217000    
 C    5.659900     -0.4820000     -0.4852000    
 C    6.447000       1.633900      0.3368000    
 C   -3.509700       3.719100      0.7774000    
 C   -4.272800       4.879500      0.1750000    
 H   -2.585900      0.6221000      -1.553500    
 H   -1.114100       1.542200      -1.580600    
 H   -2.931500       1.190300      0.8770000    
 H   -1.441200       2.153700      0.8506000    
 H    3.116200     -0.5807000     -0.6023000    
 H    2.885600     -0.1358000       1.105200    
 H    4.159200       1.690300      -1.020700    
 H    3.879800       2.110800      0.6762000    
 H   -3.729500      -1.276400     -0.6351000    
 H   3.9600000E-02  -4.239700      0.8297000    
 H   -4.135600      -3.659900     -4.6300001E-02
 H   -2.280000      -5.116700      0.6751000    
 H    5.023500      -1.344700     -0.2655000    
 H    5.581600     -0.2321000      -1.549600    
 H    6.681800     -0.8383000     -0.3049000    
 H    7.384000       1.184900      0.6847000    
 H    6.606700       2.027600     -0.6736000    
 H    6.237600       2.475800       1.006300    
 H   -2.680300       4.098900       1.384400    
 H   -4.177800       3.130500       1.416100    
 H   -4.676800       5.529400      0.9562000    
 H   -3.622200       5.472100     -0.4765000    
 H   -5.099200       4.517000     -0.4453000    


%chk=000124396-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124396

0 1
S 1.409635 1.980955 0.392100
O -3.332709 2.968384 -0.042998
N -0.730286 0.325354 -0.325822
N 1.105516 -0.814193 0.456089
N 5.199692 0.251219 0.071581
C -1.600012 1.449380 -0.690320
C -1.079408 -1.041389 -0.343895
C 0.582433 0.388425 0.171539
C 0.080116 -1.737597 0.138983
C -2.476156 1.911257 0.489624
C 3.131065 1.322413 0.864237
C 3.960246 0.927452 -0.372999
C -2.256165 -1.709841 -0.734857
C 0.066914 -3.146222 0.234933
C -2.250268 -3.119408 -0.631836
C -1.108409 -3.825064 -0.154344
C 5.010999 -1.192586 0.327970
C 6.378036 0.525343 -0.771194
C -4.204861 3.563316 0.983718
C -5.044094 4.643948 0.303833
H -2.249814 1.147823 -1.530449
H -0.979229 2.293310 -1.037980
H -3.085765 1.064950 0.876635
H -1.839710 2.292975 1.317702
H 2.948482 0.458634 1.520578
H 3.606272 2.137251 1.432732
H 3.342636 0.285513 -1.042946
H 4.227379 1.837685 -0.940387
H -3.138802 -1.175752 -1.102802
H 0.946321 -3.684556 0.601449
H -3.143852 -3.681402 -0.925042
H -1.146473 -4.917949 -0.088902
H 4.103875 -1.356271 0.933394
H 4.894732 -1.785037 -0.614025
H 5.880213 -1.590801 0.882385
H 7.278541 0.094147 -0.296436
H 6.300593 0.097834 -1.803117
H 6.532374 1.615314 -0.861315
H -3.580319 3.992905 1.798008
H -4.851233 2.773378 1.427119
H -5.720505 5.123806 1.034279
H -4.392659 5.419649 -0.134030
H -5.653843 4.207046 -0.505591


