%chk=000208846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208846

0 1
S 1.372591 3.195661 1.518061
O -0.431790 1.516529 1.641543
N -3.435834 -0.485005 1.048447
C -4.104640 -0.426726 -0.291704
C -4.411391 -0.772813 2.150312
C -2.630810 0.742306 1.330161
C -3.057787 -0.642468 -1.398723
C -4.771470 -2.269523 2.125575
C -1.178543 0.260486 1.468961
C 1.589136 0.592095 0.529204
C -3.715214 -0.711141 -2.773840
C -5.704755 -2.631384 3.276202
C 0.814917 1.697341 1.202117
C 3.072203 0.919648 0.491947
C 1.073839 0.281706 -0.864688
C 3.595738 1.808001 -0.458352
C 1.245667 -1.017093 -1.369990
C 3.926406 0.311053 1.423595
C 0.442683 1.254946 -1.651812
C 4.965542 2.083435 -0.474066
C 0.779888 -1.338081 -2.647075
C 5.295767 0.591126 1.401758
C -0.023513 0.926186 -2.928291
C 5.817969 1.475518 0.453341
C 0.140876 -0.368956 -3.427726
H -4.655644 0.522616 -0.459717
H -4.861576 -1.242351 -0.340023
H -5.330778 -0.153249 2.086792
H -3.932637 -0.530434 3.124655
H -2.693082 1.501798 0.519610
H -2.941688 1.275688 2.253564
H -2.302415 0.168457 -1.383663
H -2.493820 -1.575714 -1.197279
H -5.240049 -2.533034 1.156436
H -3.842638 -2.872805 2.177616
H -0.843559 -0.296419 0.580574
H -1.002484 -0.323409 2.385891
H 1.458381 -0.335462 1.161761
H -4.417909 -1.548785 -2.847897
H -4.268665 0.205344 -3.007285
H -2.961681 -0.846703 -3.559039
H -5.246233 -2.428929 4.251109
H -6.644592 -2.069438 3.231722
H -5.961170 -3.697216 3.253876
H 2.936381 2.291784 -1.178624
H 1.753234 -1.774173 -0.774193
H 3.531093 -0.371171 2.172573
H 0.316036 2.273123 -1.280596
H 5.368261 2.778289 -1.209204
H 0.917390 -2.346250 -3.035939
H 5.955363 0.121032 2.128881
H -0.514328 1.686225 -3.535354
H 6.883568 1.693948 0.439345
H -0.222135 -0.621609 -4.421950


%chk=000208846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208846

0 1
S 1.411351 3.514743 1.252057
O -0.592640 1.805347 1.245523
N -3.554876 -0.483900 1.037376
C -4.308879 -0.646719 -0.229121
C -4.311416 -0.864517 2.256904
C -2.795028 0.784054 1.134343
C -3.401765 -0.824174 -1.466092
C -4.430772 -2.392402 2.454383
C -1.288530 0.484994 1.078524
C 1.503392 0.799472 0.337661
C -4.217851 -1.041453 -2.758290
C -5.231403 -2.750543 3.725545
C 0.748552 1.992705 0.956232
C 3.020660 0.870017 0.561064
C 1.116271 0.614131 -1.145573
C 3.891669 1.474665 -0.376707
C 1.165897 -0.687810 -1.707948
C 3.566609 0.316836 1.746024
C 0.741745 1.702258 -1.972377
C 5.280608 1.532270 -0.129595
C 0.845800 -0.899951 -3.066249
C 4.955246 0.374533 1.997186
C 0.418965 1.490685 -3.332791
C 5.818072 0.984577 1.058023
C 0.468519 0.190818 -3.884972
H -5.000642 0.217438 -0.405767
H -4.945640 -1.546123 -0.133879
H -5.336806 -0.413742 2.263856
H -3.779256 -0.445381 3.132379
H -3.054173 1.475421 0.307392
H -3.019065 1.321165 2.076261
H -2.752698 0.065035 -1.593199
H -2.729505 -1.685319 -1.286482
H -4.918105 -2.850743 1.571706
H -3.410762 -2.818760 2.506142
H -1.019327 0.024300 0.113716
H -0.991633 -0.178233 1.912372
H 1.156879 -0.109354 0.872858
H -4.840798 -1.953484 -2.690252
H -4.893329 -0.187041 -2.954278
H -3.551923 -1.151348 -3.633104
H -4.752424 -2.332455 4.631195
H -6.261575 -2.349829 3.675982
H -5.301981 -3.845263 3.857736
H 3.484833 1.899814 -1.299811
H 1.465595 -1.536084 -1.079931
H 2.900877 -0.152085 2.482247
H 0.700940 2.713811 -1.552200
H 5.943450 2.006353 -0.862274
H 0.890350 -1.911606 -3.485052
H 5.362209 -0.054445 2.919853
H 0.130172 2.342089 -3.959395
H 6.896224 1.030769 1.248644
H 0.218013 0.028469 -4.939249


