%chk=000082450.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082450

0 1
 S    1.212900      -1.456000     -0.3310000    
 N   -5.257500     -2.3499999E-02 -4.0000002E-03
 N    1.129300       1.057300      0.2423000    
 C   -1.058600     -4.1999999E-03  9.9999997E-05
 C    2.716900     -0.6338000     -0.1445000    
 C   0.3850000      3.3000000E-03  2.3000001E-03
 C    2.469500      0.7079000      0.1616000    
 C   -3.847200     -1.6799999E-02 -1.9000000E-03
 C   -1.760300       1.191300     -0.1508000    
 C   -1.749500      -1.205800      0.1499000    
 C    4.021600      -1.139600     -0.2606000    
 C    5.091500     -0.2633000     -6.1799999E-02
 C   -3.155000       1.184900     -0.1518000    
 C   -3.144400      -1.212200      0.1489000    
 C    3.568800       1.571900      0.3578000    
 C    4.870400       1.075100      0.2434000    
 C   -5.995000      0.9688000     -0.7604000    
 C   -5.987900      -1.031200      0.7389000    
 C    6.489500     -0.7740000     -0.1781000    
 H   -1.243100       2.140200     -0.2697000    
 H   -1.264500      -2.166100      0.2957000    
 H    4.190400      -2.186200     -0.4972000    
 H   -3.671800       2.134200     -0.2603000    
 H   -3.652900      -2.165600      0.2611000    
 H    3.407300       2.619100      0.5973000    
 H    5.706800       1.752000      0.3993000    
 H   -6.035200       1.919300     -0.2181000    
 H   -5.546800       1.136400      -1.746400    
 H   -7.027600      0.6460000     -0.9351000    
 H   -5.540400      -1.207300       1.723700    
 H   -7.023100     -0.7183000      0.9159000    
 H   -6.019600      -1.975100      0.1848000    
 H    7.168300      8.6000003E-03 -0.5341000    
 H    6.841900      -1.128000      0.7958000    
 H    6.550600      -1.600000     -0.8950000    


%chk=000082450-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082450

0 1
S 1.326922 -1.727006 0.157596
N -5.360379 0.017338 0.014590
N 1.149131 0.958877 -0.108827
C -1.084161 -0.108225 0.008701
C 2.838942 -0.739564 0.051380
C 0.373717 -0.107298 0.001311
C 2.517652 0.651471 -0.085091
C -3.965676 -0.023857 0.013251
C -1.786310 1.125897 -0.122187
C -1.855383 -1.295508 0.142029
C 4.172625 -1.189057 0.088246
C 5.223197 -0.243027 -0.011167
C -3.185368 1.173077 -0.120987
C -3.257305 -1.263304 0.145465
C 3.571064 1.592829 -0.183959
C 4.902175 1.141149 -0.146573
C -6.060694 1.302743 -0.112518
C -6.134856 -1.224751 0.138944
C 6.675178 -0.688572 0.027924
H -1.201361 2.045339 -0.225750
H -1.351219 -2.264091 0.246731
H 4.406645 -2.253628 0.192398
H -3.678300 2.143275 -0.226998
H -3.804649 -2.203506 0.252630
H 3.327390 2.654252 -0.288293
H 5.719411 1.868497 -0.223479
H -5.794102 1.997858 0.708884
H -5.829807 1.805034 -1.073854
H -7.147906 1.132713 -0.071789
H -5.934030 -1.741567 1.099428
H -7.210281 -0.991548 0.098725
H -5.909091 -1.932822 -0.683827
H 7.217375 -0.370923 -0.882678
H 7.207065 -0.246987 0.892104
H 6.762689 -1.785807 0.105638


