%chk=000037328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037328

0 1
 S    4.079500      -1.870300      0.2752000    
 O   0.5623000       1.495900     -0.3107000    
 N  -0.1429000     -0.7450000     -8.3499998E-02
 N    1.482400      -2.490200      0.2124000    
 C    3.403400      0.6020000      3.2499999E-02
 C    3.553100       2.089200     -0.1021000    
 C    4.960200       2.568200      0.2877000    
 C    6.051300       1.669800     -0.3086000    
 C    5.928800      0.2249000      0.1957000    
 C    4.503000     -0.2288000      0.1487000    
 C    2.186700     -0.1548000      2.4499999E-02
 C    2.414600      -1.508800      0.1579000    
 C   0.8129000      0.3088000     -0.1208000    
 C   0.2473000      -2.086800      0.1129000    
 C   -1.515300     -0.3803000     -0.3052000    
 C   -2.315100     -3.1900000E-02  0.7761000    
 C  -0.8114000      -3.158500      0.2816000    
 C   -2.022800     -0.3804000      -1.594800    
 C   -3.658200      0.3268000      0.5766000    
 C   -4.185800      0.3295000     -0.7366000    
 C   -3.354900     -2.6500000E-02  -1.811500    
 C   -4.489100      0.6832000       1.651300    
 C   -5.528900      0.6883000     -0.9364000    
 C   -5.821200       1.036600       1.434300    
 C   -6.340100       1.039100      0.1429000    
 H    3.352400       2.365600      -1.144600    
 H    2.817700       2.606300      0.5240000    
 H    5.099900       3.601900     -4.8200000E-02
 H    5.056700       2.571100       1.381100    
 H    7.041900       2.063100     -5.4099999E-02
 H    5.971400       1.686300      -1.403200    
 H    6.284200      0.1709000       1.232300    
 H    6.570500     -0.4263000     -0.4087000    
 H   -1.896300     -3.8300000E-02   1.781000    
 H  -0.3499000      -4.136000      0.4489000    
 H   -1.431000      -3.213600     -0.6176000    
 H   -1.446900      -2.918400       1.138400    
 H   -1.397800     -0.6527000      -2.441000    
 H   -3.739400     -3.1500001E-02  -2.829300    
 H   -4.104800      0.6882000       2.669200    
 H   -5.955600      0.6973000      -1.937300    
 H   -6.453200       1.310100       2.274200    
 H   -7.377200       1.314600     -2.5200000E-02


%chk=000037328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037328

0 1
S 4.181810 -1.963730 0.521502
O 0.515875 1.448237 -0.464460
N -0.115636 -0.801107 -0.108497
N 1.464990 -2.550875 0.341162
C 3.463400 0.568085 -0.001440
C 3.567586 2.062580 -0.246797
C 4.944514 2.611963 0.199065
C 6.102262 1.711939 -0.294890
C 6.007963 0.289421 0.321634
C 4.585898 -0.206021 0.252271
C 2.241447 -0.210966 0.006276
C 2.436064 -1.583206 0.271876
C 0.881758 0.263065 -0.212283
C 0.206659 -2.145679 0.150041
C -1.504222 -0.400068 -0.303312
C -2.300824 -0.091619 0.797061
C -0.903876 -3.164665 0.207857
C -2.022145 -0.320668 -1.633643
C -3.667918 0.295883 0.614656
C -4.206135 0.366348 -0.729836
C -3.349366 0.054366 -1.837487
C -4.518651 0.617769 1.723567
C -5.574995 0.753418 -0.910562
C -5.847843 0.992332 1.515941
C -6.380686 1.059848 0.188355
H 3.408141 2.265186 -1.325173
H 2.742322 2.582165 0.271066
H 5.073091 3.642545 -0.181598
H 4.979148 2.669450 1.305749
H 7.080305 2.158706 -0.035414
H 6.058794 1.635837 -1.399236
H 6.348302 0.316214 1.377801
H 6.692355 -0.400898 -0.208694
H -1.877769 -0.131561 1.807446
H -0.447050 -4.153316 0.357122
H -1.501173 -3.171769 -0.721660
H -1.604752 -2.960542 1.037053
H -1.361295 -0.542825 -2.477628
H -3.751195 0.120794 -2.855132
H -4.108951 0.569005 2.739378
H -5.981026 0.808340 -1.927610
H -6.489968 1.238512 2.368498
H -7.424808 1.356107 0.039974


