%chk=000043706.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043706

0 1
 S   -1.893700      0.4086000     -0.8814000    
 S    3.584500      -1.514300       1.258800    
 O   -1.890100       1.817500     -0.5383000    
 O   -2.452000     -5.2700002E-02  -2.137000    
 O    4.249900      -2.618500      0.5948000    
 O    3.633900      -1.383500       2.702100    
 O  -0.6980000      -2.522600      -1.009100    
 O    2.155500      -2.350700      -1.437400    
 N  -0.3149000     -0.2085000     -0.6794000    
 N    1.957400      -1.441600      0.7397000    
 N   -8.184100       1.121100      0.3984000    
 N    5.712400       3.557900      -1.000500    
 C   -2.716300     -0.4585000      0.4324000    
 C   -4.154900     -4.2500000E-02  0.4228000    
 C    4.216800     -6.6999998E-03  0.5870000    
 C   -5.075400     -0.7552000     -0.3395000    
 C   -4.562400       1.053900       1.177300    
 C   -6.415500     -0.3682000     -0.3477000    
 C   -5.902400       1.440900       1.169300    
 C   4.1700002E-02  -1.583200     -0.7677000    
 C   -6.829200      0.7298000      0.4068000    
 C    4.159900       1.148500       1.347600    
 C    4.757500     -8.5000005E-03 -0.6873000    
 C    1.497700      -1.837900     -0.5473000    
 C    5.206800       2.354900     -0.4647000    
 C    4.658600       2.338400      0.8177000    
 C    5.256300       1.181500      -1.217300    
 H   -2.231500     -0.2007000       1.379300    
 H   -2.631300      -1.536200      0.2749000    
 H   0.3964000      0.4521000     -0.3393000    
 H   -4.765900      -1.612800     -0.9307000    
 H   -3.850100       1.615000       1.776100    
 H    1.270100      -1.086100       1.417200    
 H   -7.128000     -0.9305000     -0.9459000    
 H   -6.212300       2.298200       1.761400    
 H    3.729800       1.158800       2.344300    
 H    4.800300     -0.9103000      -1.290200    
 H    4.612900       3.246600       1.413200    
 H    5.680100       1.181800      -2.218400    
 H   -8.856500      0.6056000     -0.1537000    
 H   -8.484600       1.916700      0.9457000    
 H    5.675400       4.409400     -0.4561000    
 H    6.108400       3.570500      -1.931000    


%chk=000043706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043706

0 1
S -2.320084 1.274337 2.105327
S 3.805519 -1.390263 0.969821
O -1.820795 2.058910 3.447831
O -2.854616 2.210524 0.880988
O 3.893964 -2.794588 0.174409
O 4.321095 -1.250593 2.506399
O -1.345469 -1.261777 0.209134
O 1.361368 -0.867482 -1.080940
N -0.529510 0.525768 1.486501
N 1.961149 -0.906582 1.185391
N -7.482201 0.466138 -1.951468
N 6.226664 3.070098 -2.303724
C -3.838237 -0.726915 2.194717
C -4.767733 -0.446108 1.164951
C 4.517200 -0.010058 -0.048720
C -4.461421 -0.781285 -0.205599
C -6.015607 0.221033 1.439641
C -5.356631 -0.488427 -1.228530
C -6.915035 0.514490 0.421073
C -0.403247 -0.519642 0.623764
C -6.599397 0.166987 -0.937683
C 5.184345 1.026016 0.631965
C 4.397734 -0.062940 -1.450350
C 1.067357 -0.789214 0.139017
C 5.661218 2.048198 -1.554602
C 5.758816 2.057378 -0.128069
C 4.976084 0.971877 -2.201187
H -4.100755 -0.558638 3.246600
H -2.970255 -1.359739 1.980855
H 0.263335 1.141344 1.714384
H -3.492093 -1.244279 -0.421066
H -6.251567 0.502983 2.472530
H 1.662558 -0.976541 2.167647
H -5.109947 -0.739752 -2.266506
H -7.861377 1.021951 0.641331
H 5.263602 1.009161 1.723673
H 3.854824 -0.881063 -1.931657
H 6.287726 2.873468 0.376949
H 4.892569 0.957485 -3.293541
H -7.258469 0.247993 -2.920392
H -8.357027 0.950906 -1.762085
H 6.708828 3.843478 -1.854213
H 6.158716 3.073363 -3.317666


