%chk=000003076.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003076

0 1
 S  -0.3912000      0.2472000      -1.927900    
 O   0.2087000       2.076200       1.058600    
 O  -6.8700001E-02  -1.234700       1.800100    
 O   -6.540600      -1.107900     -0.2285000    
 O   0.6429000       1.418900       3.233000    
 N    1.605900     -0.3735000      0.4451000    
 N    3.976300      -3.264300      0.2751000    
 C   -1.282200      0.9830000     -0.5090000    
 C  -0.5454000      0.8884000      0.8381000    
 C   0.3429000     -0.3411000       1.050300    
 C    2.569300      -1.370100      0.9174000    
 C    2.054600      0.5324000     -0.5737000    
 C   -2.694000      0.4213000     -0.4331000    
 C    1.229400      0.9395000      -1.640400    
 C    2.997400      -2.299500     -0.2088000    
 C    3.380100       1.005300     -0.5377000    
 C    1.725100       1.823300      -2.613200    
 C   -2.888000     -0.9230000     -0.1297000    
 C   -3.782900       1.255400     -0.6686000    
 C    3.859200       1.891000      -1.504400    
 C    3.029800       2.305000      -2.538300    
 C   -4.182500      -1.437900     -6.1099999E-02
 C   -5.077400      0.7405000     -0.6000000    
 C    4.377300      -4.176000     -0.7982000    
 C    5.148900      -2.579400      0.8229000    
 C   -5.277300     -0.6061000     -0.2961000    
 C   0.7445000       2.207100       2.303800    
 C    1.510900       3.472300       2.437400    
 C   -6.673000      -2.493100      8.6900003E-02
 H   -1.366500       2.048400     -0.7628000    
 H   -1.305000      0.8693000       1.634300    
 H    3.383700     -0.8271000       1.401700    
 H    2.120900      -1.972600       1.717000    
 H    3.404500      -1.743300      -1.061600    
 H    2.109100      -2.828400     -0.5791000    
 H    4.065300      0.7370000      0.2606000    
 H    1.104700       2.135500      -3.450900    
 H   -2.052100      -1.592500      4.6200000E-02
 H   -3.643900       2.306400     -0.9061000    
 H    4.879700       2.257900      -1.445600    
 H    3.401500       2.989600      -3.294700    
 H   -4.265800      -2.492800      0.1772000    
 H   -5.926300       1.393200     -0.7839000    
 H    3.506300      -4.708700      -1.196000    
 H    5.063700      -4.940800     -0.4181000    
 H    4.868500      -3.650700      -1.625400    
 H    4.940800      -2.124900       1.796000    
 H    5.952900      -3.299500       1.019900    
 H    5.548000      -1.818800      0.1418000    
 H   0.8476000       4.325900       2.277200    
 H    1.933600       3.545100       3.443700    
 H    2.331700       3.485900       1.715700    
 H   -7.743800      -2.721000      9.8899998E-02
 H   -6.220100      -3.126300     -0.6836000    
 H   -6.287400      -2.716700       1.087300    


%chk=000003076-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003076

0 1
S -0.049702 0.397653 -1.789526
O 0.248316 2.287074 1.157186
O 0.184595 -1.296279 1.701563
O -6.268361 -1.594628 -0.793160
O 0.723933 1.804823 3.390965
N 1.881987 -0.089867 0.660546
N 3.725403 -3.380791 0.115444
C -1.174664 1.037453 -0.328823
C -0.408013 0.954378 1.011809
C 0.579054 -0.234197 1.130179
C 2.817606 -1.219311 0.940662
C 2.298970 0.936692 -0.257621
C -2.493067 0.300270 -0.399260
C 1.522359 1.273360 -1.404774
C 2.668820 -2.366028 -0.090753
C 3.535739 1.597447 -0.043634
C 1.993194 2.256050 -2.305537
C -2.725324 -0.921172 0.281198
C -3.538602 0.840676 -1.198461
C 4.004104 2.565395 -0.956027
C 3.234683 2.896167 -2.095497
C -3.969273 -1.581702 0.181726
C -4.778483 0.191324 -1.311983
C 3.292227 -4.760765 -0.179089
C 4.997531 -3.040674 -0.550181
C -4.998531 -1.026365 -0.618797
C 0.778724 2.593569 2.424515
C 1.395832 3.972776 2.402754
C -6.546911 -2.854526 -0.098134
H -1.323580 2.108297 -0.546421
H -1.110765 0.823704 1.854825
H 3.847900 -0.828366 0.929853
H 2.598804 -1.613224 1.945382
H 2.682875 -1.944369 -1.125821
H 1.680832 -2.832622 0.060222
H 4.120945 1.360807 0.851817
H 1.378732 2.507161 -3.176044
H -1.934757 -1.361146 0.899966
H -3.375009 1.782020 -1.737043
H 4.962367 3.063816 -0.773141
H 3.591367 3.646986 -2.808273
H -4.118979 -2.518643 0.726332
H -5.587921 0.602966 -1.922091
H 2.387379 -4.998959 0.406387
H 4.086900 -5.469233 0.118856
H 3.063944 -4.937833 -1.260718
H 5.326893 -2.027243 -0.259373
H 5.784227 -3.750996 -0.237755
H 4.927708 -3.068012 -1.667733
H 0.640159 4.724530 2.116513
H 1.803097 4.213340 3.395176
H 2.198926 4.010631 1.645806
H -7.579744 -3.112229 -0.374462
H -5.859753 -3.656823 -0.429841
H -6.473094 -2.733063 0.999990


