%chk=000227007.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227007

0 1
 S   -3.029800      -1.910900      0.4853000    
 O   -4.124000      -2.636200     -0.1309000    
 O   -2.742900      -2.075700       1.897400    
 N    5.550800      0.9119000      0.2431000    
 N   -1.603700      -2.180400     -0.4058000    
 N  -0.4400000      -1.412300      2.3000001E-03
 N   -3.991400       3.869600     -0.5227000    
 C    4.320400      0.2628000      1.1100000E-02
 C   -3.315700     -0.1916000      0.1850000    
 C    1.885600      -1.019000     -0.4492000    
 C    4.218700     -0.7026000     -0.9906000    
 C    3.204600      0.5872000      0.7828000    
 C    3.001300      -1.343400      -1.220900    
 C    1.987200     -5.3800002E-02  0.5527000    
 C   -4.085000      0.1852000     -0.9017000    
 C   -2.764500      0.7438000       1.042900    
 C   -3.763100       2.498600     -0.2841000    
 C   -4.310600       1.541300      -1.138100    
 C   -2.990100       2.099800      0.8065000    
 C    6.489000       1.116100     -0.8426000    
 C    5.887100       1.395800       1.567400    
 C   0.6159000      -1.686300     -0.6900000    
 H    5.070900     -0.9869000      -1.601400    
 H    3.246300       1.342800       1.562100    
 H   -4.513000     -0.5440000      -1.582400    
 H   -2.155300      0.4536000       1.893300    
 H    2.937800      -2.095100      -2.003500    
 H    1.134700      0.2224000       1.167700    
 H   -4.913200       1.839500      -1.992200    
 H   -2.556800       2.836300       1.478500    
 H   -1.647700      -2.520900      -1.373800    
 H    7.051200      0.1990000      -1.047300    
 H    7.215100       1.898800     -0.5959000    
 H    5.979300       1.437000      -1.758200    
 H    6.965900       1.561000       1.665200    
 H    5.608600      0.6724000       2.342000    
 H    5.388500       2.349400       1.770400    
 H   0.5901000      -2.441800      -1.496500    
 H   -4.551000       4.159500      -1.313700    
 H   -3.593900       4.564200      9.5600002E-02


%chk=000227007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227007

0 1
S -2.894294 -1.793581 0.211505
O -4.019320 -2.765989 -0.459702
O -2.276803 -2.087499 1.693256
N 5.822757 0.802419 0.288952
N -1.487728 -1.784782 -1.196177
N -0.335144 -1.182432 -0.746816
N -4.839816 3.930365 0.100488
C 4.607867 0.206015 -0.053248
C -3.476784 -0.033242 0.165562
C 2.095586 -1.021794 -0.751856
C 4.563014 -0.999644 -0.826873
C 3.356139 0.781590 0.355603
C 3.335039 -1.588708 -1.164006
C 2.139479 0.182167 0.012177
C -4.403249 0.344510 -0.823588
C -2.987769 0.862585 1.133210
C -4.386910 2.616050 0.121943
C -4.860191 1.672665 -0.841885
C -3.448456 2.189862 1.111270
C 7.088569 0.195989 -0.144367
C 5.842247 2.040472 1.079982
C 0.843383 -1.675889 -1.105600
H 5.487883 -1.475280 -1.163960
H 3.342034 1.703122 0.944210
H -4.767250 -0.391552 -1.547301
H -2.278599 0.516027 1.891427
H 3.332805 -2.511913 -1.757871
H 1.191556 0.631219 0.326419
H -5.585820 1.987522 -1.600708
H -3.084491 2.904759 1.858294
H -1.422001 -2.800044 -1.469592
H 7.208816 -0.832006 0.253542
H 7.930706 0.801819 0.224683
H 7.163661 0.145402 -1.249657
H 6.885229 2.352280 1.245933
H 5.366372 1.902425 2.071820
H 5.317918 2.868551 0.561447
H 0.915025 -2.592685 -1.727394
H -5.511345 4.240022 -0.596108
H -4.512816 4.606304 0.784788


