%chk=000208838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208838

0 1
S 2.081864 -1.287525 1.489714
N -3.765146 0.672307 0.806789
N 0.291317 0.035488 -0.628334
C -1.527912 1.612761 0.253438
C -2.630633 2.574702 -0.283345
C -2.305062 0.581480 1.127007
C -0.845958 0.931798 -0.970939
C -3.966220 2.069509 0.299820
C -0.504811 2.369325 1.100127
C -4.189681 -0.349858 -0.193551
C 0.029155 -1.334443 -0.342749
C 1.580881 0.609597 -0.439622
C 0.829593 -2.071843 0.552691
C 2.522669 0.043051 0.442652
C -1.024707 -2.003747 -1.005369
C 1.963134 1.746508 -1.187432
C 0.613539 -3.431842 0.767437
C 3.811352 0.561119 0.558220
C -1.250155 -3.359316 -0.770736
C 3.246237 2.274038 -1.051481
C -0.436271 -4.079765 0.109917
C 4.175604 1.686912 -0.186003
H -2.666860 2.594902 -1.383521
H -2.437050 3.615138 0.024606
H -1.917583 -0.447266 1.025501
H -2.208425 0.834463 2.206122
H -0.478361 1.718767 -1.671321
H -1.609130 0.348344 -1.538076
H -4.266577 2.681060 1.178351
H -4.791509 2.133758 -0.430752
H 0.093062 3.064752 0.501529
H -0.990620 2.949303 1.893555
H 0.197888 1.683097 1.593037
H -5.285228 -0.297092 -0.301654
H -3.952368 -1.353893 0.194650
H -3.736554 -0.246954 -1.188908
H -1.657570 -1.462285 -1.707472
H 1.257534 2.207194 -1.877765
H 1.255313 -3.990889 1.451450
H 4.534057 0.096363 1.231899
H -2.067658 -3.863527 -1.286559
H 3.528678 3.151905 -1.633082
H -0.616632 -5.138029 0.281556
H 5.176106 2.101632 -0.093192


%chk=000208838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208838

0 1
S 1.928583 -1.062195 1.782185
N -3.885898 0.684688 0.803227
N 0.286862 0.091380 -0.519959
C -1.617700 1.602211 0.302255
C -2.740615 2.543631 -0.266160
C -2.440901 0.529719 1.134421
C -0.842998 0.972376 -0.903160
C -4.022263 2.142713 0.529838
C -0.645396 2.367841 1.230139
C -4.369645 -0.179232 -0.298199
C 0.077630 -1.310640 -0.320577
C 1.617502 0.617277 -0.451803
C 0.818254 -2.014560 0.669895
C 2.533157 0.132961 0.523682
C -0.835950 -2.056708 -1.115503
C 2.087290 1.599921 -1.365729
C 0.664725 -3.402667 0.856683
C 3.861109 0.599474 0.584884
C -1.021679 -3.439452 -0.903344
C 3.404475 2.099256 -1.281640
C -0.272240 -4.122652 0.081077
C 4.300810 1.602449 -0.308525
H -2.896298 2.360781 -1.348235
H -2.482778 3.610780 -0.144798
H -2.110050 -0.506202 0.955193
H -2.303073 0.741593 2.212291
H -0.458908 1.797741 -1.526858
H -1.557276 0.414004 -1.531847
H -4.048530 2.682191 1.496916
H -4.962998 2.357847 -0.005702
H -0.048115 3.114419 0.673359
H -1.208607 2.901063 2.018717
H 0.056932 1.674106 1.727089
H -5.461456 -0.048885 -0.407335
H -4.180775 -1.235411 -0.038145
H -3.904013 0.015966 -1.297272
H -1.401572 -1.559918 -1.909651
H 1.428089 1.969822 -2.156888
H 1.264465 -3.911217 1.619012
H 4.540160 0.189542 1.340064
H -1.741900 -3.984807 -1.523123
H 3.733836 2.864881 -1.992709
H -0.408837 -5.196733 0.242009
H 5.325891 1.981644 -0.247569


