%chk=000040117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040117

0 1
 S   -1.075200      -2.180300      -1.344100    
 O  -7.8299999E-02  0.6156000       2.244900    
 O   -4.304800      0.2435000      -1.360800    
 O    2.822100     -0.6534000       1.780800    
 O   -2.601900       1.419900       2.088300    
 O   -3.387900       2.306000      0.1320000    
 N   -1.451500     -0.5616000      0.7338000    
 N    1.351000      -1.596300      0.2569000    
 N    4.935800      -1.232700      0.1031000    
 C   -1.140900      -1.951800      0.4494000    
 C   0.2064000      -1.694900       1.159300    
 C  -0.4077000     -0.3216000       1.556500    
 C   -2.518100      9.5200002E-02  0.2092000    
 C   -2.814600      -1.679200      -1.583900    
 C   -3.201400     -0.4135000     -0.8423000    
 C    3.607100      -1.065600     -0.4796000    
 C    2.585800      -1.074300      0.6500000    
 C    3.530500      0.2467000      -1.249600    
 C   -2.892500       1.397600      0.7715000    
 C    2.156300      0.4131000      -1.851500    
 C    3.929100       1.394900     -0.3547000    
 C    1.749600       2.579100     -0.6702000    
 C    1.359100       1.458900      -1.588800    
 C    3.128100       2.438400     -9.4800003E-02
 C   -5.486200     -0.1839000     -0.7153000    
 H   -1.796200      -2.651600      0.9815000    
 H   0.3989000      -2.356300       2.010100    
 H    1.264600      -1.942500     -0.6954000    
 H   -3.465400      -2.502100      -1.270300    
 H   -2.958900      -1.531000      -2.659200    
 H    3.417600      -1.914100      -1.149100    
 H    4.247000      0.2188000      -2.082100    
 H    1.810200     -0.3503000      -2.543400    
 H    4.925600       1.398700      7.9599999E-02
 H    5.637500      -1.229100     -0.6363000    
 H    5.000600      -2.146300      0.5507000    
 H    1.693300       3.523500      -1.223100    
 H    1.025500       2.633900      0.1504000    
 H   0.3818000       1.512400      -2.059800    
 H    3.485900       3.234300      0.5520000    
 H   -5.664900      -1.251900     -0.8818000    
 H   -6.327800      0.3670000      -1.146100    
 H   -5.463200      2.7700000E-02  0.3594000    
 H   -2.837100       2.276900       2.503600    


%chk=000040117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040117

0 1
S -1.103042 -2.052065 -1.447082
O -0.477521 1.624214 0.985065
O -5.028071 -1.009871 -1.097546
O 2.747396 -2.124897 1.348664
O -3.263709 1.336908 2.122354
O -4.569015 1.845673 0.266414
N -1.794699 -0.412488 0.672246
N 1.414944 -0.818050 -0.036672
N 4.971411 -1.837854 -0.143278
C -1.027172 -1.643988 0.404086
C 0.277338 -0.872984 0.847584
C -0.643274 0.396420 0.885579
C -3.127693 -0.137491 0.260080
C -2.992184 -2.100462 -1.419133
C -3.704534 -0.968900 -0.691045
C 3.767072 -1.247066 -0.722199
C 2.613137 -1.430831 0.294217
C 4.016426 0.274110 -1.120874
C -3.744148 1.082711 0.832850
C 2.969631 0.837816 -2.066927
C 4.215630 1.137561 0.108639
C 2.424557 2.802843 -0.560736
C 2.264488 1.976803 -1.820234
C 3.501810 2.264531 0.360733
C -6.140944 -0.466958 -0.290926
H -1.335796 -2.524403 0.987109
H 0.623868 -1.209335 1.840281
H 1.402326 -0.173718 -0.838389
H -3.311152 -3.067489 -0.991657
H -3.314349 -2.081507 -2.474250
H 3.442448 -1.764213 -1.658103
H 4.980455 0.217545 -1.673348
H 2.813455 0.296327 -3.012507
H 4.976255 0.780012 0.813582
H 5.606802 -2.292298 -0.798609
H 4.788497 -2.359847 0.720396
H 2.644083 3.857370 -0.835343
H 1.454995 2.840565 -0.017279
H 1.537782 2.336048 -2.562748
H 3.686876 2.828049 1.285155
H -5.983431 -0.700420 0.778939
H -7.031469 -0.987174 -0.673399
H -6.215701 0.623003 -0.425669
H -3.558877 2.243601 2.404777


