%chk=000090740.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090740

0 1
 S   -1.457700       1.915300      0.3020000    
 S    1.461800       1.909200     -0.3046000    
 O   -4.964300     -0.7377000       1.957200    
 O    4.962400     -0.7446000      -1.953800    
 O   -6.460500       1.760200      -1.655300    
 O    6.461200       1.765200       1.649300    
 N   -6.090500      0.2255000      0.1137000    
 N    6.090100      0.2248000     -0.1146000    
 N   -4.596200       1.846000     -0.3006000    
 N    4.595500       1.845900      0.2962000    
 C   -4.044600       1.178700      0.8406000    
 C    4.043000       1.174900     -0.8423000    
 C   -2.675400      0.5948000      0.5576000    
 C    2.674300      0.5913000     -0.5561000    
 C   -5.088300      9.6400000E-02   1.068600    
 C    5.087000      9.2399999E-02  -1.068000    
 C   -5.806100       1.298400     -0.7289000    
 C    5.806000       1.300200      0.7250000    
 C   -7.245000     -0.6143000      1.1900000E-02
 C    7.244900     -0.6142000     -1.1300000E-02
 C  -1.9999999E-04  0.8768000      1.6000000E-03
 C   -7.786100      -1.206400       1.156300    
 C    7.785100      -1.209600      -1.154300    
 C   -7.837700     -0.8463000      -1.232300    
 C    7.839000     -0.8421000       1.233000    
 C   -8.911400      -2.024500       1.057300    
 C    8.910900      -2.027000      -1.053900    
 C   -8.963100      -1.664500      -1.331000    
 C    8.964900      -1.659500       1.333300    
 C   -9.499900      -2.253600     -0.1862000    
 C    9.500800      -2.251900      0.1898000    
 H   -4.054100       1.867000       1.692600    
 H    4.051900       1.860500      -1.696600    
 H   -2.349300     -2.2100000E-02   1.401900    
 H   -2.700700     -4.3499999E-02 -0.3332000    
 H    2.701700     -4.4900000E-02  0.3362000    
 H    2.348600     -2.9100001E-02  -1.398100    
 H   -4.182100       2.670500     -0.7244000    
 H    4.181600       2.671400      0.7178000    
 H  -0.1829000      0.2458000     -0.8725000    
 H   0.1811000      0.2497000      0.8788000    
 H   -7.375300      -1.026400       2.144900    
 H    7.373300      -1.033000      -2.143100    
 H   -7.430200     -0.4302000      -2.148500    
 H    7.432300     -0.4233000       2.148300    
 H   -9.333900      -2.477900       1.949300    
 H    9.332700      -2.482900      -1.944900    
 H   -9.417800      -1.848600      -2.300000    
 H    9.420600      -1.840400       2.302400    
 H   -10.37620      -2.890600     -0.2633000    
 H    10.37740      -2.888300      0.2680000    


%chk=000090740-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090740

0 1
S -1.940324 4.370149 -1.660475
S 0.928994 3.573996 -0.763353
O -4.659931 1.681556 1.377280
O 4.771118 0.767574 -1.520755
O -3.397984 -0.898956 -2.397022
O 2.629790 -0.653675 2.466308
N -4.105751 0.040011 -0.279801
N 3.949603 -0.287976 0.467884
N -3.371107 1.419649 -1.927876
N 2.416011 1.264436 1.098554
C -3.765446 2.328043 -0.850690
C 3.019721 1.826196 -0.108509
C -2.629321 3.225586 -0.315421
C 2.031978 2.105578 -1.257050
C -4.249618 1.345813 0.240785
C 4.035416 0.728392 -0.505403
C -3.594089 0.079574 -1.642585
C 2.942507 0.039460 1.473518
C -4.424060 -1.180532 0.421892
C 4.734612 -1.498789 0.482374
C -0.392740 3.418901 -2.115084
C -5.468668 -1.186011 1.380378
C 6.049098 -1.485613 -0.048959
C -3.687099 -2.362590 0.159443
C 4.190599 -2.694414 1.015353
C -5.767863 -2.377362 2.074449
C 6.811951 -2.672286 -0.046852
C -4.006052 -3.547751 0.855313
C 4.971070 -3.870034 1.018511
C -5.042638 -3.562609 1.816038
C 6.280590 -3.868383 0.486849
H -4.616949 2.967305 -1.156924
H 3.587551 2.753241 0.113204
H -3.011181 3.867569 0.493485
H -1.782514 2.632708 0.069969
H 1.389860 1.226487 -1.440226
H 2.597875 2.360543 -2.167357
H -3.140911 1.726900 -2.871386
H 1.678025 1.716063 1.635971
H -0.026482 3.866567 -3.050964
H -0.625933 2.351463 -2.257531
H -6.025007 -0.271029 1.593231
H 6.461810 -0.567872 -0.472770
H -2.894029 -2.361169 -0.590976
H 3.185006 -2.698688 1.440363
H -6.572679 -2.375782 2.817356
H 7.825405 -2.657404 -0.462117
H -3.437527 -4.460159 0.645763
H 4.548839 -4.790118 1.436793
H -5.281461 -4.485012 2.356125
H 6.878538 -4.786048 0.488696


