%chk=000122459.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122459

0 1
 S   -2.886000      -3.550500     -9.8200001E-02
 S    4.185900      -1.598600     -0.3673000    
 O   -3.436700      -4.381700      -1.394100    
 O   -1.570400      -3.037000     -0.4514000    
 O   -3.064700      -4.383200       1.081200    
 N   -3.451800       2.239500     -0.3128000    
 N    2.092400       1.512700     -6.0000003E-04
 N    2.377500      0.3054000     -0.1792000    
 N    4.663700      0.8970000      7.5800002E-02
 C   -4.256700       1.375700      -1.153500    
 C   -2.055900       2.055700     -0.2291000    
 C   -4.101400       3.285600      0.4517000    
 C   -4.557300      8.3200000E-02 -0.4465000    
 C   -1.461900       1.771800       1.000700    
 C   -1.269300       2.157800      -1.376500    
 C   -3.689900     -0.9924000     -0.5866000    
 C  -8.1400000E-02   1.590300       1.083000    
 C   -4.133400       4.592300     -0.3227000    
 C   -5.699100     -1.9700000E-02  0.3377000    
 C   -3.968700      -2.191400      6.9100000E-02
 C   0.7000000       1.692900     -6.4800002E-02
 C   0.1112000       1.976000      -1.294300    
 C   -5.978000      -1.218800      0.9933000    
 C   -5.112800      -2.304600      0.8590000    
 C   0.5323000       1.286200       2.410500    
 C    5.833300      -1.127400     -0.1761000    
 C    5.891000      0.2504000      5.4600000E-02
 C    3.704300      2.6000001E-02 -0.1335000    
 C    6.991300      -1.920000     -0.2263000    
 C    7.153700      0.8538000      0.2417000    
 C    8.228100      -1.298000     -3.8199998E-02
 C    8.310600      7.0699997E-02  0.1932000    
 H   -3.767600       1.173000      -2.115000    
 H   -5.198700       1.871000      -1.425200    
 H   -5.130800       2.996900      0.6943000    
 H   -3.604700       3.449700       1.415100    
 H   -2.075800       1.678500       1.893600    
 H   -1.713800       2.388900      -2.341000    
 H   -2.806400     -0.8970000      -1.211800    
 H   -3.120700       4.946200     -0.5423000    
 H   -4.660500       4.474100      -1.275200    
 H   -4.645800       5.366200      0.2572000    
 H   -6.382100      0.8177000      0.4482000    
 H   0.7160000       2.060500      -2.193200    
 H   -6.870000      -1.307500       1.606500    
 H   -5.355200      -3.230500       1.372900    
 H   0.9079000      0.2580000       2.429400    
 H    1.356200       1.975700       2.623300    
 H  -0.1910000       1.390800       3.226500    
 H   -3.425600      -3.888900      -2.248200    
 H    6.934600      -2.989100     -0.4061000    
 H    7.229500       1.922300      0.4230000    
 H    9.136800      -1.893300     -7.3200002E-02
 H    9.281300      0.5370000      0.3373000    


%chk=000122459-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122459

0 1
S -4.791910 -3.236955 1.258226
S 4.869031 -0.762268 -2.087931
O -3.263824 -3.940513 0.474552
O -4.364173 -2.474976 2.621072
O -5.944183 -4.371525 1.280250
N -3.342832 1.902668 0.188731
N 2.262923 1.064347 0.284087
N 2.794524 0.372074 -0.714609
N 5.072503 0.580743 0.261804
C -4.158999 1.606644 -0.994513
C -1.960995 1.681465 0.195708
C -4.044698 2.549828 1.322015
C -4.793950 0.209517 -1.020583
C -1.127699 2.206719 1.234835
C -1.336642 0.905425 -0.841201
C -4.508577 -0.744644 -0.017834
C 0.261262 1.994170 1.259730
C -4.085510 4.092189 1.229461
C -5.689416 -0.136366 -2.066028
C -5.139507 -1.994061 -0.104703
C 0.867642 1.231005 0.201804
C 0.040606 0.694621 -0.833568
C -6.300846 -1.407477 -2.119083
C -6.029453 -2.371213 -1.119610
C 1.108068 2.571410 2.375643
C 6.486114 -0.564979 -1.315730
C 6.365429 0.174393 -0.082861
C 4.175349 0.198614 -0.635625
C 7.736517 -1.028304 -1.771605
C 7.526987 0.440458 0.687914
C 8.878670 -0.751220 -0.988397
C 8.773158 -0.023430 0.230544
H -3.555397 1.753120 -1.909874
H -4.970892 2.358409 -1.048290
H -5.076115 2.150592 1.345670
H -3.571487 2.230938 2.267242
H -1.565267 2.809100 2.035638
H -1.940505 0.436914 -1.623800
H -3.825730 -0.509485 0.804649
H -3.069147 4.522027 1.226730
H -4.595779 4.422850 0.306380
H -4.637874 4.511083 2.090296
H -5.915099 0.600537 -2.847027
H 0.521200 0.096982 -1.614283
H -6.989742 -1.652292 -2.933627
H -6.496988 -3.360455 -1.120659
H 1.638142 1.770912 2.920692
H 1.895485 3.232591 1.974412
H 0.489409 3.140796 3.090532
H -2.844456 -4.568717 1.132444
H 7.827813 -1.589089 -2.706841
H 7.425510 1.001583 1.621487
H 9.859302 -1.103481 -1.326446
H 9.675547 0.176625 0.818080


