%chk=000033319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033319

0 1
 S  -0.1015000      3.6800001E-02  -2.136400    
 N    4.672300       1.266600     -5.9400000E-02
 C  -0.2208000      0.4232000     -0.3147000    
 C  -2.6699999E-02 -0.9119000      0.3891000    
 C   0.8760000       1.427400      4.1200001E-02
 C   0.2089000      -1.755900      -1.921100    
 C   0.1934000      -2.022800     -0.4421000    
 C   -1.573000       1.007400     -5.2099999E-02
 C    2.263100      0.8330000     -0.1849000    
 C  -4.6700001E-02  -1.071500       1.778200    
 C  -0.8555000      -2.542100      -2.679400    
 C   0.4060000      -3.283500      0.1184000    
 C    3.352600       1.853300      0.1409000    
 C   -2.657500      0.1659000      0.1818000    
 C   -1.740500       2.389900     -4.2399999E-02
 C   0.1556000      -2.335600       2.331800    
 C   0.3831000      -3.437200       1.504900    
 C   -3.918200      0.7102000      0.4268000    
 C   -3.001200       2.934200      0.2027000    
 C   -4.090000       2.094300      0.4373000    
 C    5.720700       2.218600      0.2794000    
 H   0.8312000       2.331700     -0.5777000    
 H   0.7948000       1.746500       1.089600    
 H    1.203900      -1.974900      -2.323200    
 H    2.423000     -4.4599999E-02  0.4521000    
 H    2.407200      0.5107000      -1.221400    
 H  -0.2143000     -0.2214000       2.433300    
 H  -0.8494000      -2.292400      -3.746400    
 H  -0.6754000      -3.620200      -2.600500    
 H   -1.862300      -2.354500      -2.287300    
 H   0.5919000      -4.147200     -0.5134000    
 H    3.231800       2.736400     -0.4984000    
 H    3.242200       2.175200       1.183700    
 H   -2.578600     -0.9167000      0.1557000    
 H  -0.9489000       3.102500     -0.2354000    
 H   0.1410000      -2.462800       3.410600    
 H   0.5456000      -4.417800       1.943300    
 H   -4.767600      5.6699999E-02  0.6028000    
 H   -3.137400       4.011800      0.2063000    
 H    4.776200      0.9800000      -1.032500    
 H   -5.072000       2.518200      0.6255000    
 H    5.671900       3.112000     -0.3517000    
 H    6.699000       1.752400      0.1269000    
 H    5.660200       2.518300       1.330700    


%chk=000033319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033319

0 1
S -0.289185 -0.002369 -2.177814
N 4.721367 1.258167 -0.254503
C -0.320068 0.462391 -0.285343
C -0.145066 -0.891834 0.412372
C 0.877763 1.407204 0.026775
C 0.354833 -1.777128 -1.880795
C 0.218193 -2.005995 -0.381007
C -1.686597 1.101987 0.018694
C 2.275926 0.812761 -0.232988
C -0.283804 -1.036035 1.813315
C -0.423885 -2.776099 -2.757878
C 0.448844 -3.261299 0.231687
C 3.396297 1.829861 0.059978
C -2.858487 0.301391 -0.063912
C -1.833866 2.467000 0.372958
C -0.054267 -2.288649 2.421951
C 0.314791 -3.402860 1.630446
C -4.131468 0.842459 0.200847
C -3.112021 3.015160 0.635947
C -4.266085 2.207861 0.551681
C 5.859813 2.151641 0.025109
H 0.765072 2.327697 -0.578508
H 0.805065 1.708016 1.093886
H 1.423411 -1.783700 -2.169315
H 2.446882 -0.086058 0.386665
H 2.335729 0.498531 -1.295747
H -0.584693 -0.174434 2.420479
H -0.336481 -2.512555 -3.826865
H -0.024889 -3.800504 -2.630233
H -1.493545 -2.779813 -2.487236
H 0.731989 -4.126160 -0.379303
H 3.190555 2.780278 -0.500862
H 3.387684 2.093627 1.137481
H -2.760843 -0.752182 -0.347953
H -0.958171 3.118061 0.448913
H -0.166006 -2.399556 3.506230
H 0.492856 -4.375807 2.101859
H -5.020037 0.204837 0.129599
H -3.201570 4.073734 0.905864
H 4.747017 0.887213 -1.213971
H -5.255710 2.632715 0.754034
H 5.809072 3.142867 -0.491511
H 6.802921 1.658427 -0.270603
H 5.914764 2.349351 1.112177


