%chk=000118708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118708

0 1
 S   -4.237600       1.515800       1.139600    
 S   -4.168100     -0.8582000     -0.7459000    
 N   -1.502000       2.382900     -0.1959000    
 N   -2.548100     -0.5579000       1.238400    
 N    6.469900      -1.824200      0.7315000    
 N    4.993200       2.113600     -0.7679000    
 C   -2.035800       3.198100      0.8701000    
 C  -0.3283000       1.635700     -2.6400000E-02
 C   -2.222200       2.337000      -1.469200    
 C   -2.802100       2.356000       1.882700    
 C   0.1615000      0.8432000      -1.070300    
 C    1.329600      9.9600002E-02 -0.9011000    
 C   0.3644000       1.675700       1.188600    
 C    2.015000      0.1441000      0.3129000    
 C   -1.566300       3.264500      -2.474000    
 C    1.532400      0.9322000       1.357700    
 C    1.817000     -0.7342000      -2.041900    
 C    3.237700     -0.6206000      0.5212000    
 C   -3.558700     -7.4999998E-03  0.6069000    
 C   -2.987100      -2.088600     -0.4918000    
 C   -2.208100      -1.752100      0.6194000    
 C   -2.765500      -3.266400      -1.223500    
 C   -1.171000      -2.627100       1.009900    
 C    4.501400     -0.2133000      0.2523000    
 C   -1.733000      -4.115000     -0.8159000    
 C  -0.9448000      -3.801300      0.2859000    
 C    5.586400      -1.102900      0.5168000    
 C    4.770400       1.070800     -0.3099000    
 H   -1.255600       3.789000       1.364600    
 H   -2.711900       3.959800      0.4570000    
 H   -2.317900       1.323800      -1.870000    
 H   -3.252500       2.688700      -1.338900    
 H   -2.166700       1.637600       2.406800    
 H   -3.199100       3.026600       2.653100    
 H  -0.3363000      0.7723000      -2.031000    
 H   4.4100001E-02   2.271000       2.036600    
 H   -1.554400       4.295000      -2.102100    
 H  -0.5329000       2.988100      -2.700200    
 H   -2.126500       3.255400      -3.414600    
 H    2.054800      0.9781000       2.310600    
 H    1.967800      -1.772600      -1.727800    
 H    1.097600     -0.7574000      -2.868000    
 H    2.755700     -0.3332000      -2.437300    
 H    3.069900      -1.611200      0.9428000    
 H   -3.376400      -3.517400      -2.085200    
 H  -0.5480000      -2.390300       1.867700    
 H   -1.544200      -5.031400      -1.368900    
 H  -0.1452000      -4.472400      0.5873000    


%chk=000118708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118708

0 1
S -4.485769 1.481989 1.134345
S -4.851153 -1.176139 -0.485678
N -1.462406 2.396430 -0.150596
N -2.657657 -0.616277 0.986101
N 6.872142 -1.384590 1.245860
N 5.240686 0.658276 -2.351207
C -2.133533 3.135742 0.932153
C -0.249015 1.748221 0.065360
C -2.112418 2.404811 -1.484670
C -2.932062 2.252146 1.916732
C 0.405241 1.016699 -0.977038
C 1.646532 0.374988 -0.814332
C 0.387474 1.750238 1.352602
C 2.319323 0.462691 0.460481
C -1.503315 3.442410 -2.454097
C 1.613764 1.113004 1.528541
C 2.152467 -0.476219 -1.965834
C 3.621856 -0.069720 0.813750
C -3.814781 -0.115338 0.630485
C -3.496745 -2.390238 -0.398807
C -2.432746 -1.890539 0.422629
C -3.420994 -3.651284 -1.018790
C -1.269795 -2.671891 0.614652
C 4.792611 -0.260601 0.074236
C -2.251875 -4.420406 -0.813616
C -1.188468 -3.934095 -0.006860
C 5.930977 -0.870478 0.712408
C 5.017929 0.220071 -1.258715
H -1.387624 3.711453 1.516445
H -2.807205 3.881200 0.474121
H -2.068427 1.390513 -1.922090
H -3.183860 2.618335 -1.329182
H -2.336157 1.404187 2.289763
H -3.313846 2.849858 2.761850
H -0.082395 0.912561 -1.950442
H -0.079524 2.233098 2.214228
H -1.606791 4.466207 -2.051511
H -0.429979 3.252806 -2.626310
H -2.022248 3.403400 -3.429382
H 2.080188 1.138109 2.521293
H 2.791548 -1.304800 -1.617667
H 1.300527 -0.911747 -2.516731
H 2.752071 0.110988 -2.684250
H 3.734591 -0.317872 1.880031
H -4.234903 -4.033140 -1.642282
H -0.459030 -2.281671 1.236866
H -2.168978 -5.404710 -1.286358
H -0.293727 -4.549274 0.134214


