%chk=000037579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037579

0 1
 S   0.6880000      -2.409300      1.3500000E-02
 O   -6.466000       2.211400     -4.5800000E-02
 O   -4.614500       3.369100     -0.2704000    
 N    4.172200     -0.3613000     -0.3968000    
 N    6.389700       1.307500      0.4132000    
 N   -2.022900      -2.206700      0.1497000    
 N  -0.9707000     -0.2662000     -0.1097000    
 N   -5.215900       2.278200     -0.1246000    
 C    4.051500      0.5725000      0.7295000    
 C    5.560400     -0.8172000     -0.5374000    
 C    5.001300       1.762600      0.5558000    
 C    6.510000      0.3729000     -0.7125000    
 C    3.267400      -1.496700     -0.2289000    
 C    1.824600      -1.008100     -0.1954000    
 C    7.293500       2.443500      0.2436000    
 C  -0.8543000      -1.548500      1.4600000E-02
 C   -3.011200      -1.256900      0.1096000    
 C   -2.328900     -5.4200001E-02 -5.2800000E-02
 C   -2.242600      -3.628400      0.3078000    
 C   -4.401100      -1.343700      0.1987000    
 C   -3.060500       1.142700     -0.1329000    
 C   -4.456900       1.079500     -4.5800000E-02
 C   -5.113200     -0.1426000      0.1169000    
 H    4.255200      7.0000000E-02   1.684700    
 H    3.053200       1.014000      0.7906000    
 H    5.652100      -1.462300      -1.419700    
 H    5.868700      -1.410200      0.3345000    
 H    4.693300       2.357500     -0.3151000    
 H    4.912800       2.407200       1.438900    
 H    7.536200     -1.0200000E-02 -0.7680000    
 H    6.297700      0.8773000      -1.665000    
 H    3.508300      -2.055400      0.6856000    
 H    3.390800      -2.184000      -1.076100    
 H    1.579100     -0.4739000      -1.120100    
 H    1.629100     -0.3524000      0.6553000    
 H    7.233200       3.114900       1.107400    
 H    7.067900       3.022400     -0.6593000    
 H    8.332800       2.102000      0.1832000    
 H   -1.838600      -4.140200     -0.5696000    
 H   -1.734200      -3.957600       1.217800    
 H   -3.307700      -3.848900      0.3927000    
 H   -4.920300      -2.286500      0.3251000    
 H   -2.524400       2.078000     -0.2595000    
 H   -6.197500     -0.2024000      0.1856000    


%chk=000037579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037579

0 1
S 0.699736 -3.089505 -1.333032
O -5.020238 2.751694 1.616381
O -2.978360 3.608779 1.071909
N 3.836319 -0.560956 -0.241393
N 5.486449 1.720995 0.401067
N -1.822182 -2.404026 -0.325517
N -0.377997 -0.625389 -0.530435
N -3.807310 2.622793 1.184237
C 3.229302 0.763851 0.049156
C 5.112816 -0.729556 0.493234
C 4.206102 1.887347 -0.328566
C 6.087921 0.398149 0.112532
C 2.881989 -1.680306 -0.106184
C 2.159459 -1.868531 -1.454639
C 6.424957 2.831930 0.156507
C -0.537812 -1.947327 -0.694443
C -2.535802 -1.275471 0.096522
C -1.618816 -0.171573 -0.031369
C -2.333888 -3.776465 -0.389513
C -3.855712 -1.113547 0.567507
C -2.020628 1.127016 0.324910
C -3.343552 1.272207 0.798063
C -4.256279 0.186934 0.922854
H 2.978170 0.854793 1.134785
H 2.289298 0.867793 -0.521415
H 5.556359 -1.705835 0.222275
H 4.959456 -0.708812 1.600822
H 4.359596 1.875881 -1.438378
H 3.767399 2.864761 -0.053260
H 7.018244 0.295053 0.702631
H 6.350848 0.292338 -0.971946
H 2.131004 -1.504023 0.697693
H 3.432078 -2.603949 0.151818
H 2.821644 -2.296435 -2.223586
H 1.726261 -0.922796 -1.812599
H 5.952200 3.787920 0.445153
H 6.746825 2.914734 -0.913230
H 7.330287 2.697988 0.775856
H -1.492336 -4.474744 -0.522506
H -2.850522 -4.031566 0.551770
H -3.035054 -3.901185 -1.233962
H -4.551172 -1.953535 0.655924
H -1.356954 1.990404 0.245252
H -5.262505 0.391575 1.296018


