%chk=000175361.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175361

0 1
 S   -4.182800     -0.2826000      -1.215500    
 O    5.789200       3.122000      -1.128900    
 O    6.080100      -3.326400      3.4699999E-02
 O   -7.826600     -0.1377000      9.0499997E-02
 O   -6.998500     -0.6060000      -1.892700    
 N    4.315800     -0.1125000     -0.1992000    
 N   -1.173000     -0.1780000      0.9113000    
 N   -1.819900      0.1239000     -0.1175000    
 N   -3.751400      0.3733000       1.247500    
 N   -6.835900     -0.2854000     -0.6806000    
 C    2.933600     -0.1241000      8.1900001E-02
 C    5.088200       1.102700     -3.3399999E-02
 C    4.978800      -1.311900     -0.6710000    
 C    2.304100       1.035000      0.5353000    
 C   0.9372000       1.023200      0.8133000    
 C    2.196400      -1.295100     -9.3800001E-02
 C    5.058100       1.916700      -1.315800    
 C    5.463400      -2.136200      0.5095000    
 C   0.1999000     -0.1479000      0.6376000    
 C   0.8295000      -1.307000      0.1840000    
 C   0.2844000       2.276800       1.297000    
 C   -3.212000      0.1099000      0.1129000    
 C   -5.541200     -9.0700001E-02 -0.1862000    
 C   -5.117400      0.2579000       1.079000    
 H    6.136100      0.8405000      0.1716000    
 H    4.816600       1.694500      0.8477000    
 H    5.858600      -1.031100      -1.267100    
 H    4.389000      -1.902300      -1.381100    
 H    2.829700       1.973700      0.6690000    
 H    2.626500      -2.232900     -0.4263000    
 H    5.500500       1.368000      -2.154100    
 H    4.036900       2.188600      -1.599400    
 H    6.190700      -1.585600       1.115600    
 H    4.638600      -2.428800       1.166100    
 H   0.2642000      -2.225500      4.8200000E-02
 H    1.018400       3.052600       1.540700    
 H  -0.3819000       2.679400      0.5273000    
 H  -0.2915000       2.086500       2.208900    
 H    6.704300       2.878400     -0.9078000    
 H    6.832500      -3.064300     -0.5228000    
 H   -5.762700      0.4426000       1.928200    


%chk=000175361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175361

0 1
S -4.546128 1.476595 0.016884
O 5.867002 3.255929 -1.170653
O 6.271334 -3.329268 0.772556
O -8.074156 -0.307257 0.696682
O -7.538760 1.851794 0.107445
N 4.450774 -0.117982 -0.138963
N -1.180702 -0.595637 0.064353
N -2.024710 0.433940 0.134177
N -3.927809 -1.095381 0.608808
N -7.221285 0.626195 0.399339
C 3.059660 -0.189021 -0.083207
C 5.169644 1.167069 -0.017314
C 5.276976 -1.329878 -0.319960
C 2.260376 0.996715 0.057646
C 0.858147 0.980959 0.119556
C 2.374042 -1.449233 -0.163263
C 5.261219 1.935464 -1.362761
C 5.554556 -2.074014 1.013382
C 0.184679 -0.302000 0.029614
C 0.984759 -1.484402 -0.108150
C 0.125551 2.296235 0.273464
C -3.354530 0.076991 0.270097
C -5.829431 0.276289 0.393764
C -5.297710 -0.988640 0.672853
H 6.189587 0.959528 0.358155
H 4.687835 1.818551 0.732363
H 6.237462 -1.029946 -0.780543
H 4.797982 -2.029992 -1.026122
H 2.747794 1.974353 0.115975
H 2.923574 -2.388503 -0.257934
H 5.809818 1.331705 -2.116038
H 4.252195 2.140882 -1.754037
H 6.100467 -1.412673 1.718897
H 4.606485 -2.375033 1.486447
H 0.444562 -2.434788 -0.163675
H 0.840038 3.135491 0.337768
H -0.566755 2.469600 -0.568405
H -0.514597 2.294469 1.173034
H 6.842059 3.164951 -1.025442
H 7.215067 -3.142118 0.538904
H -5.910570 -1.853737 0.928907


