%chk=000208208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208208

0 1
S 6.424910 0.751993 0.847531
O -1.257657 -1.209325 -0.524923
O -4.208068 1.891173 1.251135
N -2.457543 0.559845 0.447704
N 1.535686 1.725068 -0.404365
N 8.992473 0.109191 0.953408
N 7.622788 -1.027028 -0.720763
C -1.347324 1.517350 0.684864
C -0.879738 2.193698 -0.612968
C 0.321257 1.465242 -1.237846
C -3.689815 -1.315066 -0.194075
C -4.600556 -0.363644 0.343937
C -2.300321 -0.737582 -0.151713
C -3.832281 0.860153 0.757839
C 2.677646 0.845176 -0.801114
C 3.896166 1.184885 0.078280
C -4.123838 -2.539900 -0.651321
C -5.949244 -0.632165 0.426593
C 5.052667 0.253430 -0.246343
C -5.509362 -2.819351 -0.568727
C -6.398986 -1.889568 -0.043674
C 7.806894 -0.220413 0.263258
H -0.498463 0.969649 1.163160
H -1.705385 2.280331 1.414372
H -1.705455 2.244067 -1.348844
H -0.617407 3.248169 -0.393710
H 0.122686 0.364353 -1.249361
H 0.444434 1.777137 -2.296308
H 1.807871 2.710077 -0.491492
H 2.368936 -0.211638 -0.628505
H 2.944324 0.929462 -1.876609
H 3.601772 1.101732 1.147707
H 4.187326 2.244788 -0.071664
H -3.428600 -3.272548 -1.062911
H -6.650074 0.094499 0.839307
H 4.804003 -0.811186 -0.068995
H 5.373074 0.324622 -1.305587
H -5.874712 -3.783621 -0.925408
H -7.463339 -2.123140 0.011961
H 8.925372 0.630954 1.817032
H 9.730421 -0.580550 0.972144
H 8.383160 -1.587218 -1.091007


%chk=000208208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208208

0 1
S 5.967490 -0.966368 1.131408
O -0.776114 -1.017724 0.662898
O -4.096807 2.285405 0.127497
N -2.190543 0.891803 0.430010
N 1.566463 1.550879 -0.541883
N 8.356096 0.214158 0.807200
N 6.824928 0.433667 -1.075927
C -1.203525 1.966887 0.649621
C -0.688114 2.585859 -0.669950
C 0.346587 1.674938 -1.368261
C -3.219038 -1.191439 0.220770
C -4.218344 -0.202655 0.054917
C -1.906550 -0.505484 0.464476
C -3.574250 1.144194 0.190624
C 2.373680 0.327467 -0.748696
C 3.593961 0.327068 0.197384
C -3.523421 -2.558728 0.150523
C -5.556522 -0.546937 -0.185859
C 4.466437 -0.918284 -0.015943
C -4.874897 -2.918853 -0.093687
C -5.875979 -1.928282 -0.259324
C 7.161150 0.025515 0.116266
H -0.344979 1.532614 1.192534
H -1.691438 2.735864 1.273903
H -1.538374 2.803008 -1.343963
H -0.213112 3.557923 -0.430349
H -0.078873 0.661104 -1.491297
H 0.546350 2.059729 -2.397147
H 2.147489 2.399770 -0.588154
H 1.724040 -0.540076 -0.521046
H 2.730084 0.211360 -1.803446
H 3.235657 0.382485 1.241566
H 4.214736 1.224106 0.005259
H -2.742455 -3.314247 0.281884
H -6.320561 0.226811 -0.310427
H 3.922213 -1.855206 0.194751
H 4.887488 -0.939566 -1.035730
H -5.151110 -3.977000 -0.154889
H -6.910397 -2.236135 -0.446159
H 8.480240 -0.143763 1.752784
H 9.127219 0.715943 0.371753
H 7.548792 0.975290 -1.583892


