%chk=000153651.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153651

0 1
 S   -1.016600      -2.249800       1.297900    
 S  -0.9724000       2.625600      0.6189000    
 O    5.490300      4.6300001E-02  0.3740000    
 N    1.498500     -1.1000000E-02 -0.3054000    
 N   -4.583200      -2.536400     -0.6037000    
 N   -5.017000       2.640000      0.3730000    
 C    2.140300      -1.223900     -2.3700001E-02
 C    2.163000       1.221000     -0.3631000    
 C    3.523800      -1.247700      0.2188000    
 C    3.547400       1.284500     -0.1327000    
 C    1.423300      -2.424400      2.2100000E-02
 C    1.468200       2.401300     -0.6477000    
 C    4.283500      2.9100001E-02  0.1701000    
 C  -5.0799999E-02  -2.464200     -0.2264000    
 C  -5.2000000E-03   2.398500     -0.9028000    
 C    4.179300      -2.449300      0.5021000    
 C    4.225400       2.505700     -0.1856000    
 C    2.076200      -3.625400      0.3054000    
 C    2.143800       3.621800     -0.7005000    
 C    3.450200      -3.637100      0.5449000    
 C    3.518300       3.673300     -0.4701000    
 C   -2.580400      -1.743800      0.5468000    
 C   -2.624600       2.562400     -0.1104000    
 C   -3.322700      -2.957000      6.0000003E-04
 C   -3.687400       2.692900      0.9735000    
 C   -4.353900      -1.985800      -1.940000    
 C   -5.520900      -3.657800     -0.6693000    
 C   -5.390800       1.257300      7.3100001E-02
 C   -6.005900       3.253700       1.260000    
 H   0.4918000     -9.8000001E-03 -0.3636000    
 H  -0.3188000      -3.437100     -0.6562000    
 H  -0.3411000      -1.732600     -0.9873000    
 H  -0.3249000       1.491200      -1.425600    
 H  -0.2543000       3.221800      -1.584200    
 H    5.248500      -2.479500      0.6916000    
 H    5.295400       2.566800     -8.8999998E-03
 H    1.527000      -4.562800      0.3449000    
 H    1.612000       4.544500     -0.9192000    
 H    3.953600      -4.574100      0.7654000    
 H    4.039300       4.625500     -0.5120000    
 H   -3.180700      -1.263100       1.328000    
 H   -2.378900     -0.9812000     -0.2103000    
 H   -2.722700       3.375800     -0.8378000    
 H   -2.713100       1.612100     -0.6441000    
 H   -3.526900      -3.628900      0.8459000    
 H   -2.716800      -3.527700     -0.7145000    
 H   -3.543900       3.666200       1.463100    
 H   -3.569100       1.927500       1.752400    
 H   -3.706400      -1.104500      -1.916500    
 H   -5.301300      -1.651800      -2.378700    
 H   -3.907700      -2.721000      -2.620100    
 H   -5.748700      -4.031100      0.3355000    
 H   -5.130100      -4.488900      -1.267700    
 H   -6.474200      -3.337600      -1.104700    
 H   -4.724000      0.8121000     -0.6698000    
 H   -6.394400       1.221400     -0.3665000    
 H   -5.391000      0.6219000      0.9663000    
 H   -5.766500       4.308400       1.436100    
 H   -6.063400       2.744500       2.229000    
 H   -7.000500       3.234100      0.8004000    


%chk=000153651-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153651

0 1
S -0.844277 -2.031597 1.167827
S -1.104657 2.051727 0.723457
O 5.728373 0.169745 0.400570
N 1.608031 -0.111130 -0.144084
N -4.554939 -2.277954 -0.797300
N -5.233597 2.511064 0.479261
C 2.344696 -1.290148 0.028529
C 2.212259 1.149916 -0.244667
C 3.760990 -1.223404 0.211237
C 3.626314 1.272251 -0.063739
C 1.685407 -2.566056 0.001359
C 1.426017 2.311607 -0.549146
C 4.468438 0.080216 0.203256
C 0.214213 -2.686627 -0.298682
C -0.044239 2.219350 -0.868530
C 4.501939 -2.418537 0.406663
C 4.236627 2.551340 -0.137965
C 2.457139 -3.725923 0.211866
C 2.071995 3.563468 -0.601449
C 3.859850 -3.664509 0.420892
C 3.468668 3.696662 -0.390843
C -2.412858 -1.532735 0.234634
C -2.827734 2.212014 -0.069113
C -3.356065 -2.717427 -0.039749
C -3.864947 2.455433 1.043924
C -4.304289 -2.138558 -2.247690
C -5.750159 -3.104844 -0.523617
C -5.859290 1.181024 0.323007
C -6.122406 3.461941 1.177078
H 0.597747 -0.154774 0.056447
H -0.062114 -3.735160 -0.486090
H -0.078974 -2.074230 -1.172555
H -0.275849 1.350997 -1.511941
H -0.384838 3.136654 -1.375750
H 5.583167 -2.318165 0.547338
H 5.320195 2.597100 0.012640
H 1.953307 -4.700014 0.197427
H 1.470306 4.452211 -0.826368
H 4.430577 -4.584884 0.578832
H 3.938319 4.683947 -0.440914
H -2.907352 -0.784132 0.874593
H -2.095628 -1.030325 -0.697078
H -2.814952 3.070415 -0.761823
H -3.051987 1.291673 -0.634466
H -3.684845 -3.132074 0.930250
H -2.802918 -3.534519 -0.567868
H -3.637723 3.422422 1.528503
H -3.767342 1.669558 1.834587
H -3.450846 -1.462497 -2.429300
H -5.190300 -1.697141 -2.737519
H -4.082275 -3.115757 -2.746637
H -5.958032 -3.113505 0.560543
H -5.646234 -4.164445 -0.867194
H -6.626620 -2.667539 -1.035006
H -5.192364 0.483138 -0.212223
H -6.789758 1.277230 -0.265745
H -6.119460 0.707969 1.304678
H -5.661278 4.465142 1.195511
H -6.356013 3.165577 2.231175
H -7.079513 3.538718 0.629670


