%chk=000107593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107593

0 1
 S   0.9176000     -0.1552000       1.739400    
 N   -1.444600      0.1614000     -0.3302000    
 N   -4.177100      0.9756000      0.1488000    
 C  -0.3881000     -0.4348000      -1.145400    
 C   -2.018200       1.336300     -0.9979000    
 C   -2.492900     -0.8228000     -3.4100000E-02
 C   -3.129200       1.960400     -0.1465000    
 C   -3.602900     -0.1979000      0.8181000    
 C   0.6621000      0.5952000      -1.592900    
 C   0.2547000      -1.656200     -0.5213000    
 C    1.635200       1.263100     -0.6390000    
 C   0.8926000      -1.620100      0.7298000    
 C   -5.234900       1.571400      0.9624000    
 C    1.825900       1.005700      0.7309000    
 C   0.2444000      -2.866700      -1.238500    
 C    2.453500       2.246600      -1.247200    
 C    1.488100      -2.782000       1.244400    
 C   0.8445000      -4.014900     -0.7225000    
 C    2.799700       1.741700       1.440700    
 C    1.466600      -3.972300      0.5194000    
 C    3.415400       2.959100     -0.5339000    
 C    3.587900       2.706200      0.8159000    
 H  -0.8632000     -0.7703000      -2.080900    
 H   -2.409700       1.081700      -1.991900    
 H   -1.280100       2.135100      -1.115800    
 H   -2.099100      -1.670700      0.5370000    
 H   -2.926900      -1.225800     -0.9596000    
 H   -2.701000       2.365400      0.7808000    
 H   -3.559100       2.802600     -0.7024000    
 H   -4.383200     -0.9526000      0.9754000    
 H   -3.203500      7.0200004E-02   1.805800    
 H   0.2023000       1.365300      -2.224700    
 H    1.314300      5.2200001E-02  -2.298000    
 H   -6.036100      0.8460000       1.142200    
 H   -5.690600       2.419400      0.4391000    
 H   -4.864500       1.923300       1.932000    
 H  -0.2328000      -2.924500      -2.214200    
 H    2.339700       2.463500      -2.308600    
 H    1.974900      -2.774800       2.217400    
 H   0.8257000      -4.940100      -1.291000    
 H    2.960500       1.569700       2.504300    
 H    1.932800      -4.864900      0.9260000    
 H    4.023300       3.706500      -1.034200    
 H    4.331500       3.255100       1.385500    


%chk=000107593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107593

0 1
S 1.406778 -0.584239 1.647435
N -1.163858 0.072067 -0.483955
N -3.740613 1.205675 0.251903
C -0.177993 -0.672484 -1.315951
C -1.722335 1.252794 -1.192595
C -2.272221 -0.781181 0.019589
C -2.641846 2.057151 -0.259992
C -3.182065 0.027337 0.956466
C 1.052812 0.219262 -1.700771
C 0.290673 -1.967835 -0.660114
C 1.525100 1.233556 -0.668359
C 1.041301 -2.005943 0.544828
C -4.695656 1.960166 1.084743
C 1.716028 0.972728 0.714442
C 0.031685 -3.196632 -1.318764
C 1.829623 2.544085 -1.131520
C 1.489678 -3.244232 1.072470
C 0.468758 -4.433459 -0.798204
C 2.184557 1.995579 1.582225
C 1.198731 -4.455531 0.411179
C 2.301348 3.562849 -0.279875
C 2.476392 3.283581 1.094314
H -0.652160 -0.974778 -2.288466
H -2.304384 0.939018 -2.097383
H -0.897627 1.908697 -1.518775
H -1.846521 -1.633695 0.575302
H -2.888934 -1.186428 -0.822724
H -2.021643 2.474959 0.573887
H -3.079855 2.905104 -0.820171
H -4.018347 -0.612690 1.296088
H -2.587010 0.330022 1.855803
H 0.816015 0.771362 -2.628842
H 1.879570 -0.469404 -1.962882
H -5.526415 1.298445 1.390055
H -5.120546 2.795483 0.499115
H -4.235472 2.387345 2.012513
H -0.537110 -3.172179 -2.256378
H 1.689942 2.757466 -2.199152
H 2.078423 -3.251463 1.996381
H 0.244938 -5.364884 -1.328863
H 2.326230 1.774473 2.646690
H 1.554000 -5.402664 0.831404
H 2.526441 4.557059 -0.680049
H 2.839088 4.055555 1.781555


