%chk=000063612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063612

0 1
 S   -1.170600      -1.116900      -1.172000    
 O   0.4240000      -4.051800      -1.063300    
 O   -4.270400       2.609500      0.4211000    
 N    3.917900     -0.8624000      0.1132000    
 N    1.628700      -2.510700      0.1870000    
 N   -2.802500      0.8892000     -0.2320000    
 N   -3.650300      -1.335600     -0.4347000    
 C    3.858700      -2.057300     -0.7440000    
 C    2.624400     -0.2803000      0.4965000    
 C    2.925300      -3.101200     -0.1351000    
 C    1.708700      -1.355000       1.082300    
 C    5.041500     -3.5900000E-02 -6.0000003E-04
 C   0.4579000      -3.062700     -0.3270000    
 C    5.903000      0.2224000       1.093700    
 C    5.361800      0.5816000      -1.233400    
 C  -0.8323000      -2.384200      5.7999998E-02
 C    7.018600       1.049200      0.9616000    
 C    5.619600     -0.3996000       2.422300    
 C    6.477400       1.408300      -1.365400    
 C    7.305800       1.642200     -0.2679000    
 C   -2.682100     -0.4799000     -0.5281000    
 C   -5.164600      0.4670000      0.2301000    
 C   -4.050300       1.435000      0.1344000    
 C   -4.910900     -0.8797000     -3.4400001E-02
 C   -1.682700       1.789400     -0.2420000    
 C   -6.445100      0.8921000      0.6035000    
 C   -5.958300      -1.801700      7.9400003E-02
 C  -0.9254000       1.953000      0.9103000    
 C   -1.372100       2.483500      -1.404000    
 C   -7.479200     -3.6600001E-02  0.7126000    
 C   -7.236200      -1.383000      0.4520000    
 C   0.1620000       2.826600      0.9008000    
 C  -0.2846000       3.357000      -1.413600    
 C   0.4825000       3.528500     -0.2611000    
 H    4.855200      -2.500700     -0.8603000    
 H    3.497800      -1.772600      -1.740300    
 H    2.158400      0.1704000     -0.3886000    
 H    2.761600      0.5142000       1.239400    
 H    2.813700      -3.946500     -0.8214000    
 H    3.345400      -3.489200      0.8008000    
 H    2.115000      -1.718200       2.034300    
 H   0.7435000     -0.9010000       1.297900    
 H    4.727000      0.4195000      -2.102400    
 H  -0.8443000      -2.009100       1.081800    
 H   -1.621000      -3.144700      1.1100000E-02
 H    7.673800       1.243200       1.806700    
 H    5.500800      -1.484100       2.325200    
 H    6.436200     -0.2302000       3.132700    
 H    4.709500      2.6100000E-02   2.856800    
 H    6.700300       1.871300      -2.322200    
 H    8.173900       2.286600     -0.3706000    
 H   -6.655400       1.936700      0.8152000    
 H   -5.784200      -2.855300     -0.1261000    
 H   -1.166600       1.408600       1.819300    
 H   -1.964300       2.356300      -2.306100    
 H   -8.473700      0.2897000       1.002300    
 H   -8.041300      -2.107000      0.5366000    
 H   0.7606000       2.958200       1.797300    
 H  -3.4800000E-02   3.903200      -2.318400    
 H    1.330000       4.207400     -0.2690000    


%chk=000063612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063612

0 1
S -0.929577 -0.328766 -2.310260
O 1.073312 -3.199875 -3.460137
O -3.348799 2.880881 0.812542
N 3.452317 -1.274114 0.350634
N 1.469495 -2.603904 -1.243887
N -2.269676 1.294411 -0.548747
N -2.293445 -1.053698 -0.029325
C 3.802556 -1.804022 -0.987890
C 2.027187 -0.855687 0.411820
C 2.891371 -2.999410 -1.335927
C 1.103825 -2.045188 0.072338
C 4.412947 -0.443574 1.020618
C 0.654700 -2.709488 -2.361137
C 4.389254 -0.331867 2.451193
C 5.429064 0.234138 0.289207
C -0.796251 -2.232269 -2.257533
C 5.356909 0.488917 3.079695
C 3.408880 -1.121202 3.301389
C 6.391735 1.031876 0.942690
C 6.351219 1.175376 2.346608
C -1.936316 -0.044716 -0.796690
C -3.474054 0.535017 1.452776
C -3.064635 1.671014 0.604609
C -3.074208 -0.796081 1.109939
C -1.820235 2.362977 -1.436871
C -4.262970 0.766476 2.609230
C -3.474945 -1.879680 1.938557
C -0.621981 3.048655 -1.142469
C -2.601022 2.706794 -2.561238
C -4.653251 -0.311753 3.420683
C -4.256417 -1.636112 3.080552
C -0.193628 4.088028 -1.996291
C -2.165521 3.746480 -3.411456
C -0.962762 4.435795 -3.131233
H 4.853159 -2.142965 -0.974291
H 3.695382 -1.031886 -1.786760
H 1.829916 -0.028783 -0.311249
H 1.792154 -0.484972 1.421320
H 3.077610 -3.353072 -2.362805
H 3.083255 -3.825661 -0.623430
H 1.243424 -2.831753 0.841946
H 0.049397 -1.731869 0.090137
H 5.458693 0.151047 -0.802135
H -1.328830 -2.529268 -1.336158
H -1.326262 -2.598538 -3.147153
H 5.343601 0.566042 4.174310
H 3.157879 -2.080274 2.813257
H 3.841602 -1.332631 4.294717
H 2.458569 -0.577567 3.474724
H 7.161384 1.545118 0.354920
H 7.090190 1.795312 2.865544
H -4.551143 1.797007 2.841186
H -3.164841 -2.891391 1.660056
H -0.042845 2.777657 -0.253587
H -3.533488 2.169284 -2.761174
H -5.262743 -0.136590 4.313079
H -4.565056 -2.474536 3.714685
H 0.734204 4.625609 -1.774321
H -2.764332 4.018728 -4.286918
H -0.628658 5.243322 -3.791687


