%chk=000226990.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226990

0 1
 S    1.828800       2.086800      0.2133000    
 O    2.109300       2.695400      -1.073000    
 O    2.604800       2.448200       1.383800    
 N  -0.7386000       1.737300     -0.4447000    
 N   0.1662000       2.265200      0.5602000    
 N    2.277700      -3.809600     -0.4074000    
 C   -3.765200      4.9199998E-02 -0.6051000    
 C   -2.876800      -1.113700     -0.1497000    
 C   -2.959600       1.202100      -1.205500    
 C   -3.655500      -2.247300      0.5212000    
 C   -2.009000       1.817100     -0.1939000    
 C   -2.770000      -3.368300       1.042200    
 C   -2.607100       2.428200       1.049400    
 C    1.962100      0.3326000      2.8500000E-02
 C    1.778000     -0.2301000      -1.222000    
 C    2.247800     -0.4425000       1.138200    
 C    1.883300      -1.613400      -1.367700    
 C    2.353100      -1.825900      0.9926000    
 C    2.170800      -2.411200     -0.2603000    
 H   -4.359300      0.4057000      0.2444000    
 H   -4.476600     -0.3141000      -1.356600    
 H   -2.329300      -1.511600      -1.013200    
 H   -2.123900     -0.7506000      0.5598000    
 H   -3.641000       1.989400      -1.546800    
 H   -2.394500      0.8554000      -2.078400    
 H   -4.236400      -1.842400       1.358600    
 H   -4.375600      -2.664000     -0.1929000    
 H   -3.378900      -4.149600       1.507600    
 H   -2.196100      -3.821900      0.2279000    
 H   -2.065200      -2.993100       1.790900    
 H   -2.519000       1.720800       1.878300    
 H   -2.096500       3.360300       1.304600    
 H   -3.663600       2.659100      0.8879000    
 H  -0.1389000       2.229000       1.540100    
 H    1.548200      0.3735000      -2.094600    
 H    2.384900     -7.0000002E-03   2.123100    
 H    1.737500      -2.057800      -2.348900    
 H    2.575600      -2.437200       1.863500    
 H    2.144100      -4.234800      -1.315200    
 H    2.484600      -4.388700      0.3954000    


%chk=000226990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226990

0 1
S 1.902730 2.094765 0.239189
O 2.495757 2.757194 -1.111146
O 2.494685 2.422625 1.723854
N -0.778851 1.969252 -0.402617
N 0.065971 2.696469 0.415940
N 1.619115 -3.909490 -0.501639
C -3.593812 -0.076123 -0.465385
C -2.560218 -1.145328 -0.046127
C -2.951625 1.179418 -1.125428
C -3.208105 -2.408554 0.564668
C -2.078828 1.973657 -0.175533
C -2.166075 -3.460251 1.004985
C -2.711332 2.738251 0.974053
C 1.818906 0.246876 0.006221
C 1.679135 -0.267138 -1.296712
C 1.900743 -0.576305 1.144734
C 1.617274 -1.660454 -1.463288
C 1.837819 -1.969394 0.972603
C 1.688064 -2.531852 -0.332741
H -4.192980 0.228038 0.418220
H -4.309897 -0.519807 -1.186752
H -1.952012 -1.432308 -0.928915
H -1.845097 -0.710701 0.681220
H -3.759141 1.834975 -1.510847
H -2.332125 0.866646 -1.985198
H -3.830970 -2.116505 1.435210
H -3.901770 -2.858713 -0.175010
H -2.650254 -4.358664 1.430768
H -1.540813 -3.779881 0.149490
H -1.486523 -3.041894 1.772026
H -2.409803 2.328272 1.961393
H -2.390597 3.798384 0.955144
H -3.810931 2.701160 0.922140
H -0.098489 2.696858 1.447353
H 1.634231 0.410933 -2.153988
H 2.040192 -0.131442 2.135836
H 1.511657 -2.082890 -2.469235
H 1.912630 -2.629420 1.844558
H 1.543484 -4.318827 -1.428597
H 1.678053 -4.537332 0.295150


