%chk=000060809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060809

0 1
 S    1.362300      -3.603700     -4.2500000E-02
 O  -0.6113000     -0.4982000     -5.3700000E-02
 N    4.103900       1.580600      0.6890000    
 N    2.488300      -2.364900     -0.1567000    
 N  -5.9999999E-02  -2.714800      4.0000002E-03
 C    3.907100       2.425300     -0.4947000    
 C    3.722000      0.1842000      0.3973000    
 C    2.422600       2.465200     -0.8771000    
 C    2.354900      5.5700000E-02 -0.2463000    
 C    1.760400       1.120400     -0.8144000    
 C   -4.350200     -0.1838000      0.1430000    
 C   -2.887800      0.2430000      2.6699999E-02
 C   -5.332500      0.9901000      9.9100001E-02
 C    1.753100      -1.250600     -0.1588000    
 C    5.488100       1.648700       1.154900    
 C   -1.952200     -0.9587000      4.1999999E-02
 C   -6.794600      0.5649000      0.2403000    
 C   0.3584000      -1.459800     -7.0200004E-02
 C   -7.732500       1.756400      0.1179000    
 H    4.236400       3.452100     -0.2939000    
 H    4.502000       2.055000      -1.340800    
 H    4.464400     -0.2863000     -0.2624000    
 H    3.727400     -0.3621000       1.349700    
 H    1.883500       3.143700     -0.2047000    
 H    2.326800       2.869900      -1.891100    
 H   0.7859000       1.056600      -1.286700    
 H   -4.590900     -0.8793000     -0.6706000    
 H   -4.492200     -0.7338000       1.081700    
 H   -2.731800      0.8139000     -0.8971000    
 H   -2.625500      0.9222000      0.8473000    
 H   -5.083700       1.697600      0.8999000    
 H   -5.200800       1.526800     -0.8488000    
 H    5.751100       2.676700       1.428000    
 H    6.198800       1.301400      0.3963000    
 H    5.620700       1.040600       2.056700    
 H   -2.096100      -1.511700      0.9791000    
 H   -2.193900      -1.607000     -0.8102000    
 H   -6.947500      7.8900002E-02   1.210700    
 H   -7.044000     -0.1694000     -0.5342000    
 H   -7.626000       2.241500     -0.8576000    
 H   -7.526800       2.498800      0.8956000    
 H   -8.772400       1.432100      0.2241000    


%chk=000060809-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060809

0 1
S 1.576835 -3.767127 0.375159
O -0.643469 -0.607483 0.122082
N 4.417347 1.535153 0.443444
N 2.596403 -2.287298 0.315514
N 0.022938 -2.876139 0.277917
C 3.769391 2.536923 -0.428835
C 3.896190 0.170937 0.214854
C 2.273729 2.637574 -0.072847
C 2.374844 0.127654 0.162223
C 1.634680 1.273948 0.047142
C -4.452386 -0.248218 0.016706
C -2.953016 0.133761 0.029516
C -5.377867 0.986871 -0.061632
C 1.774152 -1.215022 0.227340
C 5.888674 1.571840 0.384082
C -2.056892 -1.099572 0.118813
C -6.880092 0.622745 -0.076125
C 0.333733 -1.573082 0.207359
C -7.796414 1.863032 -0.154368
H 4.264945 3.512794 -0.272965
H 3.877693 2.277696 -1.515149
H 4.294404 -0.278931 -0.733859
H 4.250172 -0.488644 1.028334
H 2.159463 3.178650 0.889087
H 1.737304 3.236909 -0.836061
H 0.542253 1.215020 0.032865
H -4.660223 -0.915977 -0.844965
H -4.696399 -0.830253 0.929667
H -2.702614 0.700355 -0.888231
H -2.743004 0.798659 0.889596
H -5.171742 1.655103 0.800293
H -5.134714 1.571148 -0.973585
H 6.247883 2.581302 0.653107
H 6.300726 1.313088 -0.625139
H 6.307480 0.854453 1.112884
H -2.223209 -1.679228 1.046020
H -2.184112 -1.780872 -0.743299
H -7.122726 0.038856 0.835159
H -7.085281 -0.045487 -0.937325
H -7.595805 2.446703 -1.072671
H -7.631508 2.532585 0.710819
H -8.864364 1.577777 -0.162126


