%chk=000026211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026211

0 1
 S   -1.749200      0.2122000      -2.438400    
 P   0.5937000     -0.2657000     -0.6954000    
 O    1.188700     -0.5972000      -2.048700    
 N    1.330300       1.057500      3.3100002E-02
 N   0.5842000      -1.576500      0.3597000    
 N   -1.916500      0.7071000      0.2622000    
 C   -1.165000      0.2775000     -0.8480000    
 C    2.667100      0.9171000      0.6094000    
 C    1.266400       2.328300     -0.6983000    
 C  -0.6089000      -2.429500      0.4257000    
 C    1.754500      -2.466400      0.3021000    
 C   -3.300100       1.157300      0.1623000    
 C   -1.378100      0.7616000       1.623800    
 C    2.981100       2.049600       1.565200    
 C    2.289500       2.378400      -1.814200    
 C  -0.7147000      -3.330600     -0.7872000    
 C    1.834100      -3.358100       1.524000    
 C   -4.270500      1.8000000E-03  0.2950000    
 C   -1.386500       2.175300       2.167700    
 H    2.670000      2.0000000E-02   1.234500    
 H    3.455600      0.7651000     -0.1340000    
 H   0.2704000       2.455000      -1.133600    
 H    1.372900       3.193200     -3.5100002E-02
 H  -0.6490000      -3.017500       1.348800    
 H   -1.514200      -1.824100      0.4855000    
 H    1.808200      -3.050000     -0.6230000    
 H    2.663400      -1.857900      0.2890000    
 H   -3.538600       1.914700      0.9103000    
 H   -3.462100       1.649300     -0.8018000    
 H   -1.997400      0.1161000       2.257300    
 H  -0.3697000      0.3642000       1.683000    
 H    3.232400       2.981200       1.049500    
 H    2.152900       2.240200       2.257000    
 H    3.854200       1.785100       2.172700    
 H    3.316200       2.474100      -1.448800    
 H    2.238100       1.525400      -2.492700    
 H    2.102900       3.269900      -2.424900    
 H  -0.5525000      -2.797800      -1.728200    
 H  -2.7600000E-02  -4.181000     -0.7446000    
 H   -1.723900      -3.756000     -0.8329000    
 H    1.676100      -2.794200       2.450000    
 H    1.128600      -4.193400       1.491000    
 H    2.834300      -3.802100       1.585500    
 H   -4.097200     -0.7673000     -0.4636000    
 H   -4.180800     -0.4774000       1.275500    
 H   -5.300400      0.3567000      0.1871000    
 H  -0.9885000       2.891000       1.441300    
 H   -2.382300       2.508200       2.472500    
 H  -0.7606000       2.226000       3.065600    


%chk=000026211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026211

0 1
S -2.180859 0.144977 -2.407809
P 0.454787 -0.216129 -0.867221
O 1.013889 -0.480660 -2.348700
N 1.294568 1.121779 -0.027327
N 0.587946 -1.610029 0.241183
N -2.031833 0.742509 0.254098
C -1.421084 0.287785 -0.884929
C 2.385142 0.823448 0.938168
C 1.478568 2.318795 -0.905338
C -0.629946 -2.455234 0.439542
C 1.862621 -2.380446 0.065146
C -3.477313 1.116469 0.205393
C -1.413577 0.814000 1.610003
C 2.675214 1.999032 1.892332
C 2.718690 2.279701 -1.827287
C -0.984345 -3.405581 -0.728422
C 2.291083 -3.096304 1.359302
C -4.399061 -0.110439 0.363916
C -1.164251 2.261716 2.075302
H 2.063056 -0.053361 1.528852
H 3.331489 0.543076 0.421310
H 0.569837 2.415683 -1.530277
H 1.509404 3.213281 -0.253101
H -0.475155 -3.034254 1.369603
H -1.485575 -1.784891 0.630852
H 1.773040 -3.108806 -0.766139
H 2.649015 -1.670508 -0.246000
H -3.658270 1.846363 1.013636
H -3.665880 1.604479 -0.766517
H -2.102726 0.299446 2.310134
H -0.465603 0.255154 1.603098
H 3.071774 2.879986 1.356945
H 1.764977 2.304473 2.436455
H 3.436860 1.690706 2.632422
H 3.659147 2.221509 -1.248753
H 2.653930 1.406719 -2.498887
H 2.759326 3.198696 -2.441637
H -1.121440 -2.839460 -1.666850
H -0.203044 -4.168094 -0.895580
H -1.927293 -3.938109 -0.502521
H 2.384384 -2.378879 2.194267
H 1.571349 -3.879154 1.658185
H 3.270426 -3.586906 1.208856
H -4.231838 -0.821280 -0.462848
H -4.226312 -0.627167 1.325883
H -5.456089 0.210097 0.334235
H -0.445970 2.750489 1.398162
H -2.093414 2.858169 2.106224
H -0.738148 2.253550 3.095536


