%chk=000044008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044008

0 1
 S   -1.191800      -1.908900     -0.2877000    
 O    6.179300     -0.6672000       1.156700    
 O  -0.9839000       2.528300      0.2410000    
 O    1.515800      -1.832100     -0.7753000    
 O   -3.143800       2.588000     -0.5254000    
 N    3.891300     -0.4583000     -0.5234000    
 N   0.3388000      0.2040000     -0.5983000    
 C   -4.645200      5.0900001E-02  0.2887000    
 C   -5.496000      -1.095900      0.8568000    
 C   -3.227300     -0.3717000      5.7300001E-02
 C   -5.244100      -2.412300      0.1072000    
 C   -3.778200      -2.861100      0.2193000    
 C   -2.855800      -1.701900      6.6999998E-03
 C   -2.109800      0.4886000     -0.1614000    
 C  -0.9423000     -0.2163000     -0.3611000    
 C    5.112800      0.3142000     -0.7886000    
 C    3.765600     -0.7227000      0.9167000    
 C    2.713100      0.2447000      -1.026700    
 C    6.326600     -0.4337000     -0.2443000    
 C    5.011300      -1.445200       1.421600    
 C    1.476400     -0.6062000     -0.7910000    
 C   -2.153500       1.929600     -0.1747000    
 C  -0.9583000       3.960100      0.2519000    
 C   0.3991000       4.425400      0.7341000    
 H   -5.073300      0.3794000     -0.6664000    
 H   -4.687800      0.9001000      0.9800000    
 H   -6.556900     -0.8279000      0.7975000    
 H   -5.259600      -1.237800       1.919200    
 H   -5.897700      -3.198900      0.5007000    
 H   -5.506500      -2.277400     -0.9501000    
 H   -3.602300      -3.275100       1.219900    
 H   -3.585100      -3.657900     -0.5079000    
 H    5.241100      0.4638000      -1.866800    
 H    5.049900       1.301700     -0.3131000    
 H    3.651700      0.2228000       1.463800    
 H    2.905600      -1.352500       1.161800    
 H    2.790600      0.3984000      -2.109500    
 H    2.603500       1.226300     -0.5491000    
 H    6.478500      -1.389200     -0.7610000    
 H    7.230000      0.1676000     -0.3882000    
 H    4.946700      -1.587000       2.505200    
 H    5.118800      -2.435900      0.9631000    
 H   0.4621000       1.212400     -0.6444000    
 H   -1.738900       4.332700      0.9240000    
 H   -1.140300       4.334200     -0.7616000    
 H    1.191400       4.040900      8.2999997E-02
 H   0.6021000       4.043300       1.739900    
 H   0.4550000       5.517300      0.7525000    


%chk=000044008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044008

0 1
S -1.294899 -2.118664 -0.067297
O 6.654094 -0.807072 0.821865
O -0.959882 2.485125 0.047799
O 1.521408 -1.801712 -0.272397
O -3.288779 2.576354 0.127201
N 3.993708 -0.304595 -0.210511
N 0.298224 0.178911 -0.130036
C -4.805386 0.047174 0.262839
C -5.766089 -1.101559 0.657016
C -3.372879 -0.442968 0.131134
C -5.502395 -2.381780 -0.169211
C -4.075618 -2.927910 0.104344
C -3.084688 -1.792089 0.072179
C -2.180501 0.402023 0.056694
C -0.987283 -0.347429 -0.047929
C 5.150986 0.517935 -0.641401
C 4.191060 -0.838799 1.161489
C 2.717850 0.383310 -0.400136
C 6.442952 -0.311064 -0.546774
C 5.502480 -1.636384 1.222738
C 1.490884 -0.539404 -0.257778
C -2.252820 1.866584 0.081663
C -0.955414 3.976638 0.071826
C 0.504193 4.423794 0.061508
H -5.124956 0.501783 -0.696319
H -4.857352 0.866968 1.000465
H -6.811872 -0.766976 0.522108
H -5.638976 -1.336305 1.733152
H -6.248549 -3.161747 0.072540
H -5.606187 -2.149341 -1.247329
H -4.051389 -3.430630 1.093587
H -3.813411 -3.700369 -0.644703
H 4.997331 0.837697 -1.690411
H 5.263998 1.437320 -0.011257
H 4.226049 -0.012380 1.916760
H 3.349169 -1.509233 1.406046
H 2.697954 0.799709 -1.428127
H 2.578535 1.256256 0.297052
H 6.384387 -1.167603 -1.252195
H 7.327350 0.304724 -0.780375
H 5.719724 -1.964146 2.252389
H 5.426925 -2.519949 0.554519
H 0.304594 1.214347 -0.088008
H -1.491275 4.309161 0.978276
H -1.513847 4.338454 -0.809699
H 1.023147 4.074832 -0.848810
H 1.043787 4.044989 0.947292
H 0.552359 5.527623 0.078821


