%chk=000077419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077419

0 1
 S    2.661400     -0.2573000      -1.857600    
 O   -1.390700      0.7660000       1.112100    
 O    2.223900     -0.6064000      -3.196400    
 O    4.078400     -0.2100000      -1.552200    
 O   -2.397000       1.299200      -2.759700    
 N    1.906600       1.217500      -1.390600    
 N  -0.8388000       1.486800      -1.094900    
 C    1.938500       1.599900     -1.2400000E-02
 C   0.7615000       1.646300      0.7434000    
 C    1.909300      -1.418200     -0.7534000    
 C  -0.5550000       1.302100      0.1540000    
 C    3.162500       1.928400      0.5705000    
 C   0.7435000      -2.055000      -1.138500    
 C    2.502200      -1.664900      0.4715000    
 C   0.8242000       2.025100       2.088800    
 C   0.7326000      -3.232100      0.9711000    
 C   -2.662700      0.3989000      0.6739000    
 C   -3.048200      0.5660000     -0.6483000    
 C   0.1500000      -2.969800     -0.2686000    
 C    1.908700      -2.579800       1.341300    
 C    3.217400       2.305000       1.912400    
 C    2.048400       2.353400       2.671400    
 C   -2.074300       1.144600      -1.586600    
 C   -3.538800     -0.1439000       1.611600    
 C   -4.329600      0.1879000      -1.053900    
 C   9.8499998E-02  -4.210600       1.901200    
 C   -4.819100     -0.5224000       1.209800    
 C   -5.213500     -0.3567000     -0.1198000    
 H    1.053100       1.472000      -1.902700    
 H    4.082200       1.916600     -7.3000002E-03
 H   0.2686000      -1.856400      -2.094100    
 H    3.418100      -1.170100      0.7782000    
 H  -6.9399998E-02   2.086400       2.704500    
 H  -0.7692000      -3.467700     -0.5659000    
 H    2.371300      -2.774300       2.305300    
 H    4.169800       2.565400       2.364900    
 H    2.091100       2.650700       3.715100    
 H   -3.234200     -0.2741000       2.645800    
 H   -4.656100      0.3079000      -2.082800    
 H  -0.6305000      -3.702400       2.540300    
 H  -0.4129000      -5.005800       1.348200    
 H   0.8469000      -4.693800       2.538500    
 H   -5.511100     -0.9468000       1.931400    
 H   -6.212000     -0.6531000     -0.4285000    


%chk=000077419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077419

0 1
S 3.297465 -0.468256 0.352058
O -2.093158 2.257277 0.903719
O 4.142024 0.068495 -0.931249
O 4.012904 -0.492779 1.811622
O -1.854356 -1.844497 0.380273
N 1.717924 0.442410 0.460308
N -0.814744 0.238628 0.574585
C 1.623520 1.809325 0.644711
C 0.303435 2.401309 0.789557
C 2.564944 -2.156223 -0.029448
C -0.876082 1.559379 0.746610
C 2.765770 2.666623 0.693330
C 2.391461 -2.509047 -1.376168
C 2.244105 -2.997004 1.047306
C 0.187054 3.813448 0.976864
C 1.469988 -4.661896 -0.600017
C -3.292325 1.510155 0.872428
C -3.268117 0.103206 0.693858
C 1.839422 -3.779467 -1.649534
C 1.691271 -4.259461 0.743907
C 2.610436 4.044859 0.881994
C 1.319554 4.631193 1.025548
C -1.963438 -0.596981 0.537159
C -4.495677 2.225377 1.026486
C -4.499968 -0.597088 0.671082
C 0.828490 -6.001726 -0.906048
C -5.708234 1.507818 1.000132
C -5.713549 0.097886 0.822745
H 0.775970 -0.079080 0.449295
H 3.764273 2.238686 0.569007
H 2.690956 -1.823439 -2.175328
H 2.432742 -2.681322 2.078364
H -0.813582 4.241271 1.083427
H 1.688579 -4.085560 -2.690822
H 1.421458 -4.936881 1.561817
H 3.502410 4.680196 0.915804
H 1.217202 5.710686 1.170823
H -4.467768 3.310034 1.161890
H -4.466220 -1.682630 0.533226
H -0.274759 -5.917256 -0.869423
H 1.099259 -6.363798 -1.912654
H 1.122891 -6.771385 -0.171381
H -6.654060 2.046772 1.118254
H -6.663866 -0.444757 0.804885


