%chk=000014387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014387

0 1
 S   -2.532700      -1.731100       1.152500    
 O    5.166100      0.4045000      0.7068000    
 N   -1.040700     -0.2008000     -0.4309000    
 N   -3.666300       2.422800      7.9200000E-02
 N  -0.7846000      -2.547200     -0.5682000    
 C   -1.684300      0.9467000      0.1504000    
 C   -3.024800       1.243300     -0.5006000    
 C  -2.8300000E-02  4.3900002E-02  -1.465800    
 C    1.354100      0.1400000     -0.8878000    
 C   -1.352000      -1.504100     -4.9199998E-02
 C   -3.880300       2.235000       1.513700    
 C   -4.934400       2.698300     -0.5950000    
 C    2.129000      -1.007000     -0.7656000    
 C    1.844400       1.375100     -0.4809000    
 C    3.413200     -0.9177000     -0.2284000    
 C    3.128600       1.464500      5.6299999E-02
 C    3.913100      0.3180000      0.1825000    
 C   -2.291600      -3.421700      0.9935000    
 C   -1.328600      -3.663600      3.6300000E-02
 C    5.600000       1.701100       1.101100    
 H   -1.741100      0.8289000       1.236700    
 H   -1.048200       1.833200      2.3800001E-02
 H   -2.852000       1.422500      -1.570500    
 H   -3.695400      0.3776000     -0.4466000    
 H  -0.2637000      0.9673000      -2.012800    
 H  -6.0899999E-02 -0.7378000      -2.237000    
 H   -4.498400       3.047400       1.915500    
 H   -4.387300       1.290700       1.743200    
 H   -2.944900       2.291600       2.078200    
 H   -4.773800       2.864800      -1.666000    
 H   -5.653400       1.879300     -0.4769000    
 H   -5.388600       3.614900     -0.2023000    
 H    1.761300      -1.974800      -1.092200    
 H    1.246200       2.276500     -0.5790000    
 H    4.020600      -1.813800     -0.1350000    
 H    3.451700       2.456400      0.3531000    
 H   -2.845900      -4.133900       1.587700    
 H  -0.9838000      -4.644700     -0.2612000    
 H    4.985700       2.105000       1.913300    
 H    5.663700       2.384700      0.2474000    
 H    6.615700       1.595100       1.496700    


%chk=000014387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014387

0 1
S -2.820527 -2.208275 1.093520
O 5.107918 0.823786 0.879919
N -1.113224 -0.509168 -0.386844
N -3.451650 2.410163 0.365011
N -0.972690 -2.883244 -0.749534
C -1.683924 0.625450 0.358688
C -2.936642 1.214091 -0.339854
C -0.074366 -0.229613 -1.419030
C 1.291978 0.087269 -0.824518
C -1.487343 -1.808504 -0.150501
C -4.124766 2.084744 1.641948
C -4.312166 3.241961 -0.503282
C 2.044775 -0.931378 -0.175745
C 1.841976 1.386441 -0.899688
C 3.303978 -0.653513 0.379819
C 3.110758 1.685354 -0.347624
C 3.841893 0.657754 0.295351
C -2.550215 -3.950552 0.668447
C -1.567674 -4.065521 -0.294036
C 5.712929 2.155505 0.813527
H -1.922957 0.297249 1.387130
H -0.916788 1.415530 0.445048
H -2.648701 1.519309 -1.364063
H -3.711754 0.412874 -0.443067
H -0.427219 0.620565 -2.034167
H -0.024570 -1.125904 -2.059947
H -4.445816 3.019545 2.134542
H -5.025582 1.434151 1.505816
H -3.431976 1.568856 2.328015
H -3.753687 3.538225 -1.409007
H -5.250522 2.724576 -0.827341
H -4.600902 4.162429 0.035315
H 1.630358 -1.944156 -0.116395
H 1.279346 2.183885 -1.402278
H 3.894097 -1.429108 0.877504
H 3.508745 2.701508 -0.425361
H -3.127979 -4.725539 1.165493
H -1.225376 -5.013448 -0.712432
H 5.092806 2.907184 1.340119
H 5.871130 2.474823 -0.235240
H 6.683730 2.055598 1.320740


