%chk=000001582.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001582

0 1
 S   -4.033000      -1.984400      -2.697600    
 P    4.567600     -0.1111000     -9.3900003E-02
 P    2.460100      -2.121300     -0.5214000    
 P   0.4764000      -2.001600       1.659000    
 O   0.9163000       1.438700      0.6470000    
 O   0.4577000       2.099900      -2.535600    
 O   0.2173000       4.346100      0.2382000    
 O    3.714700       1.146300      0.4625000    
 O    3.506500     -0.9714000     -0.9564000    
 O    5.532900      0.5268000      -1.224500    
 O    5.286800     -0.9011000      0.9608000    
 O    1.607500      -1.423300      0.6600000    
 O    3.374300      -3.200800      0.2611000    
 O    1.632800      -2.688000      -1.637500    
 O    1.292800      -3.069000       2.557300    
 O   0.2089000     -0.7772000       2.679200    
 O  -0.7435000      -2.545000      0.9750000    
 N   -1.413600       1.147900      0.3376000    
 N   -3.004600       1.416100       1.876000    
 N   -2.560400     -0.3517000      -1.191100    
 N   -4.813400     -0.8650000     -0.4057000    
 N   -5.703000      3.6699999E-02   1.624400    
 C  -6.1799999E-02   2.504400      -1.272500    
 C   0.9249000       3.442700     -0.6077000    
 C  -0.1223000       1.296700     -0.3369000    
 C    1.770300       2.532300      0.2725000    
 C    2.992800       1.966900     -0.4400000    
 C   -2.475600      0.3987000     -8.2300000E-02
 C   -1.779400       1.739000       1.517700    
 C   -3.451600      0.5787000      0.8849000    
 C   -4.657400     -8.8299997E-02  0.6935000    
 C   -3.770600     -0.9471000      -1.267000    
 C   -2.350100      -2.571300      -3.036400    
 H   -1.045300       2.953300      -1.447800    
 H    1.531000       4.033600      -1.301700    
 H   6.0500000E-02  0.3573000     -0.8717000    
 H    2.079400       3.024300       1.201600    
 H    3.653500       2.773900     -0.7718000    
 H    2.700200       1.377500      -1.313700    
 H   0.5205000       2.894300      -3.092800    
 H  -0.3482000       4.895000     -0.3315000    
 H   -1.121400       2.394400       2.072000    
 H   -5.589300      0.6153000       2.445700    
 H   -6.569500     -0.4584000       1.463000    
 H    6.238400     -3.1300001E-02  -1.615500    
 H   -2.384500      -3.303900      -3.847200    
 H   -1.925800      -3.052700      -2.150900    
 H   -1.706800      -1.743700      -3.347300    
 H    2.966500      -4.042800      0.5558000    
 H   0.7993000      -3.633000       3.190100    
 H  -0.5134000     -0.8569000       3.338100    


%chk=000001582-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001582

0 1
S -2.891450 -3.468559 -0.874907
P 3.749142 -0.292500 0.939021
P 1.609035 -1.590316 -0.910502
P 0.095757 -2.313009 1.757533
O 1.007526 1.284150 -0.686954
O 0.355428 2.938651 -3.254700
O 0.676060 4.757125 -0.082347
O 3.275375 1.306674 1.223791
O 3.144073 -0.817684 -0.588517
O 5.386191 -0.068090 0.531448
O 3.469145 -1.252047 2.171366
O 0.790553 -1.197956 0.561714
O 2.054410 -3.224276 -0.723476
O 0.989305 -1.177272 -2.295880
O -0.155136 -3.687375 0.736464
O 1.438045 -2.758981 2.633343
O -1.174130 -1.708985 2.466660
N -1.396583 1.535189 -0.395588
N -2.831724 2.030354 1.334224
N -2.077864 -0.833296 -0.782282
N -3.880641 -1.539783 0.721685
N -4.808194 -0.120429 2.361337
C -0.044135 3.077277 -1.854726
C 1.109358 3.667139 -0.959569
C -0.264959 1.634687 -1.329338
C 1.530681 2.491448 -0.032485
C 3.032246 2.305524 0.137131
C -2.157365 0.378425 -0.165676
C -1.841671 2.488490 0.552436
C -3.039296 0.711253 0.892914
C -3.922787 -0.315786 1.342387
C -2.965678 -1.717808 -0.263214
C -1.954267 -3.250890 -2.503022
H -0.956093 3.698571 -1.752390
H 1.940130 3.976131 -1.628123
H -0.404036 0.900036 -2.136497
H 1.059734 2.643401 0.959709
H 3.507273 3.227357 0.510194
H 3.501467 1.974498 -0.806613
H 0.315397 3.818885 -3.706922
H 0.638358 5.611713 -0.580103
H -1.399408 3.481305 0.625563
H -4.813764 0.767415 2.859397
H -5.372073 -0.904086 2.684108
H 5.885207 -0.889740 0.287873
H -1.439310 -4.203354 -2.699214
H -1.236631 -2.424248 -2.394807
H -2.679308 -3.029914 -3.298911
H 1.310467 -3.775860 -0.302552
H -1.102995 -3.788026 0.356307
H 2.284535 -2.158928 2.537310


