%chk=000132740.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132740

2 1
 S   0.6326000      0.8127000      0.2656000    
 S  -0.6293000     -0.8083000      0.2438000    
 O    4.396100      -1.410200       2.557200    
 O   -4.400400       1.347400       2.586600    
 N    2.923600       1.439600      -1.290200    
 N   -2.919000      -1.410200      -1.324000    
 N    3.488900     -0.7762000      0.5134000    
 N   -3.492100      0.7627000      0.5286000    
 C    1.857300      0.3359000      -1.007800    
 C   -1.857100     -0.3087000      -1.017900    
 C    3.909100       1.578400     -0.1202000    
 C   -3.903000      -1.579100     -0.1566000    
 C    2.539100     -0.9741000     -0.5877000    
 C   -2.544100      0.9889000     -0.5683000    
 C    4.513300      0.2356000      0.2686000    
 C   -4.512400     -0.2478000      0.2623000    
 C    2.267000       2.808000      -1.542700    
 C    3.682800       1.103500      -2.587700    
 C   -2.256800      -2.770000      -1.607100    
 C   -3.680500      -1.048700      -2.613100    
 C    3.532300      -1.533400       1.684900    
 C   -3.537800       1.493500       1.716700    
 C    2.440800      -2.557200       1.871100    
 C   -2.450500       2.517600       1.924800    
 H    1.317400      0.1993000      -1.951900    
 H   -1.318200     -0.1488000      -1.959000    
 H    3.352900       2.004000      0.7227000    
 H    4.685700       2.291100     -0.4197000    
 H   -3.344300      -2.021000      0.6763000    
 H   -4.676700      -2.288300     -0.4713000    
 H    1.827200      -1.769400     -0.3723000    
 H    3.127200      -1.373900      -1.422400    
 H   -1.834000       1.781000     -0.3351000    
 H   -3.134000       1.405400      -1.393400    
 H    5.175400     -0.1490000     -0.5145000    
 H    5.135800      0.3729000       1.159100    
 H   -5.176900      0.1513000     -0.5117000    
 H   -5.133700     -0.4073000       1.149900    
 H    3.041200       3.504200      -1.880500    
 H    1.833300       3.180700     -0.6116000    
 H    1.500000       2.684300      -2.312800    
 H    2.957600       1.059600      -3.405900    
 H    4.192900      0.1455000      -2.485500    
 H    4.417000       1.893800      -2.771900    
 H   -1.820800      -3.161300     -0.6847000    
 H   -3.028300      -3.461800      -1.959800    
 H   -1.490900      -2.625900      -2.374800    
 H   -2.956200     -0.9837000      -3.430700    
 H   -4.411700      -1.837700      -2.814200    
 H   -4.194300     -9.5100001E-02  -2.489400    
 H    2.443800      -3.279900       1.051500    
 H    1.471900      -2.065700       1.957800    
 H    2.620900      -3.108400       2.799900    
 H   -2.457500       3.258400       1.121500    
 H   -1.479300       2.028500       1.999300    
 H   -2.631800       3.046900       2.865900    


%chk=000132740-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132740

2 1
S 0.788573 0.829839 -0.143775
S -0.794001 -0.848370 -0.184864
O 4.102028 0.213104 3.065508
O -4.106996 -0.275126 3.025793
N 3.175467 1.029210 -1.702680
N -3.179661 -0.992933 -1.747846
N 3.615216 -0.298337 0.863203
N -3.620662 0.295119 0.837826
C 2.191536 -0.044644 -1.137738
C -2.186986 0.060625 -1.160834
C 3.928002 1.722490 -0.523826
C -3.950783 -1.695767 -0.586131
C 2.934252 -1.029127 -0.200282
C -2.922794 1.036035 -0.207076
C 4.589270 0.708566 0.414000
C -4.606247 -0.688036 0.362512
C 2.441590 2.094168 -2.522321
C 4.180643 0.345019 -2.645220
C -2.452437 -2.054255 -2.578666
C -4.169524 -0.282686 -2.687326
C 3.467076 -0.520269 2.265477
C -3.463625 0.471960 2.245186
C 2.546672 -1.644169 2.709816
C -2.525628 1.568636 2.719832
H 1.727458 -0.544025 -2.005217
H -1.718531 0.571986 -2.019027
H 3.172699 2.316880 0.019380
H 4.667999 2.401208 -0.980131
H -3.208107 -2.308322 -0.045958
H -4.695402 -2.357080 -1.060178
H 2.189829 -1.722317 0.220284
H 3.641395 -1.652609 -0.788277
H -2.172917 1.712617 0.230800
H -3.618677 1.678533 -0.787832
H 5.472763 0.230415 -0.052982
H 4.947511 1.236735 1.317701
H -5.477092 -0.187798 -0.104688
H -4.980529 -1.226504 1.253500
H 3.191731 2.775823 -2.951624
H 1.754465 2.656919 -1.875780
H 1.880784 1.602454 -3.332510
H 3.630224 -0.130484 -3.471591
H 4.770839 -0.404701 -2.105026
H 4.855459 1.117930 -3.043957
H -1.787948 -2.645504 -1.933706
H -3.208356 -2.711076 -3.035726
H -1.867780 -1.556100 -3.367699
H -3.607782 0.195457 -3.504517
H -4.852683 -1.041029 -3.099584
H -4.752775 0.468102 -2.141049
H 2.858096 -2.623231 2.302569
H 1.495081 -1.457104 2.422189
H 2.594562 -1.698303 3.806750
H -2.825243 2.563752 2.343887
H -1.477740 1.376235 2.422432
H -2.568813 1.589688 3.818101


