%chk=000049057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049057

0 1
 S    1.437600      -1.754300       1.305800    
 O   0.3652000       2.003200      0.1061000    
 O    1.234100       1.366500       2.140500    
 N   -3.571400      0.4515000     -0.1038000    
 C   -2.413200       1.303800     -0.3438000    
 C   -1.859200       1.828600      0.9769000    
 C   -3.149000     -0.8900000      0.3032000    
 C   -4.413900      0.3775000      -1.298700    
 C  -0.6602000       2.740900      0.7566000    
 C   -4.346200      -1.769700      0.6208000    
 C   -3.666000     -0.2566000      -2.459200    
 C    1.249100       1.361100      0.9194000    
 C    2.266200      0.6317000      0.1208000    
 C    2.436500     -0.7498000      0.2127000    
 C    3.067200       1.377000     -0.7445000    
 C    3.407700      -1.385700     -0.5609000    
 C    4.038200      0.7409000      -1.518000    
 C    4.208500     -0.6403000      -1.426100    
 C   0.6423000      -2.885400      0.1321000    
 C  -0.2736000      -3.850900      0.8600000    
 H   -1.627600      0.7804000     -0.9027000    
 H   -2.700300       2.179400     -0.9415000    
 H   -1.549900       1.000900       1.623700    
 H   -2.636600       2.387300       1.512200    
 H   -2.485800      -1.387200     -0.4134000    
 H   -2.574100     -0.8215000       1.233700    
 H   -5.353500     -0.1518000      -1.108200    
 H   -4.727400       1.390200      -1.584200    
 H  -0.9309000       3.578900      0.1051000    
 H  -0.3142000       3.174400       1.702400    
 H   -5.058000      -1.262700       1.281400    
 H   -4.873000      -2.104600     -0.2777000    
 H   -4.008100      -2.673400       1.140700    
 H   -2.742800      0.2660000      -2.724700    
 H   -3.444800      -1.316400      -2.305700    
 H   -4.304500     -0.2110000      -3.350000    
 H    2.950400       2.454800     -0.8249000    
 H    3.570500      -2.458900     -0.5009000    
 H    4.662900       1.321300      -2.190600    
 H    4.966800      -1.134700      -2.026200    
 H    1.400400      -3.455100     -0.4136000    
 H   6.5499999E-02  -2.302500     -0.5933000    
 H  -0.7532000      -4.523700      0.1412000    
 H   -1.068000      -3.323100       1.398500    
 H   0.2802000      -4.469700       1.574300    


%chk=000049057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049057

0 1
S 2.151295 -2.346073 1.819037
O 0.146564 1.510324 0.452991
O 0.442107 -0.175121 2.037428
N -4.115344 1.094372 -0.567469
C -2.818070 1.777015 -0.326132
C -2.272027 1.499531 1.092827
C -3.944817 -0.339675 -0.915653
C -5.033709 1.851337 -1.455960
C -0.890573 2.118446 1.342931
C -5.255743 -1.145568 -0.855116
C -4.602176 1.997154 -2.942925
C 0.738910 0.327664 0.921576
C 1.730681 -0.227323 -0.035880
C 2.443347 -1.440856 0.251640
C 1.974670 0.456722 -1.259746
C 3.375988 -1.915466 -0.710158
C 2.901585 -0.027123 -2.198320
C 3.602944 -1.222178 -1.914897
C 3.319410 -3.840490 1.639546
C 3.153285 -4.696778 2.904515
H -2.042589 1.493349 -1.078838
H -2.978609 2.868115 -0.434548
H -2.216503 0.413917 1.290361
H -2.982497 1.916365 1.833081
H -3.471655 -0.471505 -1.922418
H -3.235527 -0.773112 -0.186198
H -6.029374 1.372601 -1.412288
H -5.157910 2.859605 -1.015370
H -0.861083 3.188792 1.075951
H -0.578351 1.974414 2.392037
H -5.744067 -1.005678 0.125667
H -5.969233 -0.844702 -1.643490
H -5.044927 -2.222093 -0.992148
H -3.620438 2.498154 -3.029761
H -4.530706 1.015425 -3.445510
H -5.343053 2.604658 -3.495846
H 1.416731 1.377617 -1.446487
H 3.937758 -2.834160 -0.527820
H 3.076536 0.513829 -3.133632
H 4.330634 -1.619245 -2.631804
H 4.355996 -3.474805 1.540781
H 3.037422 -4.407459 0.735699
H 3.812476 -5.582493 2.849068
H 2.113430 -5.051666 3.015934
H 3.421112 -4.128536 3.812846


