%chk=000032058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032058

0 1
 S    2.500300      -2.066300       1.228200    
 N   -4.347100       1.585600      0.1504000    
 C   0.2137000      0.1740000      0.1267000    
 C  -0.3720000      -1.105500     -0.3181000    
 C    1.668500      0.4775000      0.1036000    
 C  -0.1263000      -2.271100      0.4261000    
 C   -2.110800      0.8251000      0.8052000    
 C  -0.6431000       1.069200      0.6560000    
 C    2.679200     -0.4093000      0.5390000    
 C   0.7410000      -2.213400       1.652200    
 C   -2.919400       1.849700      1.0400000E-02
 C    2.054600       1.722400     -0.4460000    
 C   -1.165900      -1.166800      -1.472600    
 C    3.392800       2.099600     -0.5428000    
 C  -0.6785000      -3.486700     -1.7000000E-03
 C    4.028100     -5.2000000E-03  0.4263000    
 C    4.381300       1.235200     -0.1029000    
 C   -1.712200      -2.381800      -1.884400    
 C   -1.469000      -3.539900      -1.150100    
 C    3.757800       3.423100      -1.124100    
 C   -5.127100       2.540200     -0.6390000    
 C   -4.746000       1.644200       1.557500    
 H   -2.295200      0.9491000       1.880000    
 H   -2.451200     -0.1877000      0.5777000    
 H  -0.2794000       2.016800       1.048900    
 H   0.4354000      -1.404000       2.324700    
 H   0.6240000      -3.136100       2.232300    
 H   -2.669400       2.867800      0.3394000    
 H   -2.639700       1.776700      -1.048600    
 H    1.296700       2.410200     -0.8209000    
 H   -1.357700     -0.2752000      -2.064700    
 H  -0.4948000      -4.401500      0.5560000    
 H    4.835000     -0.6610000      0.7519000    
 H    5.431500       1.505000     -0.1722000    
 H   -2.325200      -2.425200      -2.780000    
 H   -1.892800      -4.486400      -1.473000    
 H    3.024900       4.188300     -0.8463000    
 H    4.731800       3.765100     -0.7579000    
 H    3.800800       3.355400      -2.215600    
 H   -4.851700       2.479800      -1.697900    
 H   -4.980400       3.573000     -0.3023000    
 H   -6.195900       2.306200     -0.5811000    
 H   -5.838600       1.597800       1.645300    
 H   -4.413700       2.565300       2.050200    
 H   -4.383700      0.7795000       2.122000    


%chk=000032058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032058

0 1
S 2.626500 -2.121565 1.372884
N -4.428142 1.839556 0.312114
C 0.166114 0.054895 0.307766
C -0.309279 -1.252445 -0.263741
C 1.629888 0.384361 0.187752
C -0.010990 -2.477052 0.399357
C -2.202461 0.832179 0.974294
C -0.703146 0.971783 0.835684
C 2.710850 -0.467300 0.562922
C 0.771552 -2.423306 1.682097
C -2.954777 1.948821 0.202547
C 1.961566 1.650428 -0.384769
C -1.040228 -1.285799 -1.477242
C 3.285556 2.092028 -0.590830
C -0.444953 -3.703249 -0.159218
C 4.048658 -0.038563 0.352283
C 4.335958 1.215270 -0.213163
C -1.473833 -2.512456 -2.028319
C -1.175054 -3.726332 -1.368036
C 3.581441 3.444652 -1.215468
C -5.118881 2.652136 -0.710564
C -4.939012 2.124606 1.668109
H -2.463750 0.898115 2.050589
H -2.556067 -0.147319 0.610579
H -0.275010 1.907064 1.229257
H 0.422254 -1.624571 2.355594
H 0.768619 -3.383915 2.222253
H -2.586256 2.951262 0.551637
H -2.690993 1.867589 -0.869339
H 1.131457 2.291293 -0.704579
H -1.260494 -0.343191 -1.990815
H -0.208316 -4.641811 0.356296
H 4.871726 -0.698686 0.650718
H 5.380832 1.513117 -0.363328
H -2.039423 -2.520740 -2.966614
H -1.508235 -4.680675 -1.790666
H 2.654340 4.007019 -1.421354
H 4.211817 4.066102 -0.551698
H 4.127130 3.335958 -2.172097
H -4.778918 2.351539 -1.717702
H -4.943635 3.753554 -0.600509
H -6.208003 2.475196 -0.651916
H -6.036296 1.998804 1.680288
H -4.704829 3.164557 2.015824
H -4.514679 1.415791 2.398922


