%chk=000006016.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006016

1 1
 S    2.758900      0.9352000      -1.102900    
 N   -3.448000     -0.8568000     -0.1004000    
 N   0.2140000     -6.8200000E-02  0.3738000    
 C   -2.113300     -0.3030000     -0.4625000    
 C   -1.125400     -0.5952000      0.6659000    
 C   -3.911600     -0.3063000       1.253000    
 C   -4.492800     -0.4799000      -1.157100    
 C   -3.390000      -2.385600     -4.3000001E-03
 C   -1.698900     -0.8784000      -1.810000    
 C    1.275800      -1.002700      0.2740000    
 C   0.3554000       1.339400      0.2796000    
 C    2.489800     -0.6581000     -0.3524000    
 C    1.478600       1.916100     -0.3460000    
 C    1.184100      -2.300300      0.8236000    
 C  -0.5944000       2.225300      0.8338000    
 C    3.542400      -1.586400     -0.4422000    
 C    1.617800       3.312900     -0.4299000    
 C    2.235000      -3.217200      0.7360000    
 C  -0.4487000       3.612800      0.7520000    
 C    3.414300      -2.861000      9.9500000E-02
 C   0.6570000       4.157300      0.1166000    
 H   -2.256100      0.7750000     -0.5920000    
 H   -1.430200     -0.2082000       1.642000    
 H   -1.112500      -1.668400      0.7971000    
 H   -3.793000      0.7808000       1.247200    
 H   -4.967800     -0.5640000       1.383900    
 H   -3.347300     -0.7753000       2.062600    
 H   -4.344600      -1.076300      -2.060200    
 H   -5.485300     -0.7112000     -0.7568000    
 H   -4.415300      0.5919000      -1.360800    
 H   -3.086400      -2.824700     -0.9556000    
 H   -2.756400      -2.705800      0.8236000    
 H   -4.409200      -2.727800      0.2117000    
 H   -2.420900     -0.7260000      -2.614200    
 H  -0.7931000     -0.3625000      -2.153800    
 H   -1.424700      -1.936400      -1.767100    
 H   0.3348000      -2.644500       1.404100    
 H   -1.470300       1.868900       1.367500    
 H    4.476300      -1.324600     -0.9355000    
 H    2.479200       3.759000     -0.9231000    
 H    2.133500      -4.202900       1.180900    
 H   -1.199700       4.263300       1.190900    
 H    4.234500      -3.569000      3.0200001E-02
 H   0.7745000       5.234400      4.9400002E-02


%chk=000006016-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006016

1 1
S 2.071079 0.809291 -1.694437
N -3.590095 -0.746306 -0.232048
N 0.175320 -0.259676 0.414974
C -2.055071 -0.523885 -0.564464
C -1.126931 -0.890572 0.642223
C -4.037931 0.258269 0.831154
C -4.431784 -0.496173 -1.484515
C -3.858404 -2.162767 0.267232
C -1.613319 -1.260123 -1.837924
C 1.360902 -1.063955 0.281618
C 0.283494 1.172465 0.445982
C 2.368737 -0.667018 -0.635677
C 1.175783 1.822834 -0.448635
C 1.569003 -2.227384 1.064843
C -0.464007 1.962907 1.357216
C 3.555581 -1.413399 -0.776266
C 1.329104 3.223716 -0.427301
C 2.738145 -3.001122 0.894202
C -0.340427 3.370643 1.352746
C 3.733606 -2.597108 -0.024041
C 0.556212 4.004384 0.463424
H -1.987641 0.569364 -0.722980
H -1.571178 -0.592169 1.612619
H -0.977262 -1.982386 0.670523
H -3.838317 1.277311 0.467190
H -5.116271 0.127490 1.011329
H -3.489436 0.084313 1.766295
H -4.238577 -1.284571 -2.223567
H -5.495775 -0.507259 -1.200406
H -4.167200 0.485791 -1.905237
H -3.500147 -2.886694 -0.478376
H -3.341756 -2.321725 1.224462
H -4.943051 -2.288087 0.411621
H -2.079551 -0.865736 -2.754553
H -0.526533 -1.094345 -1.941095
H -1.774301 -2.352010 -1.785207
H 0.836473 -2.515629 1.827350
H -1.111899 1.482915 2.099596
H 4.328555 -1.078079 -1.475091
H 2.040147 3.700938 -1.109218
H 2.882367 -3.902640 1.498254
H -0.920879 3.967719 2.063813
H 4.647130 -3.186910 -0.145164
H 0.666106 5.092977 0.469636


