%chk=000188350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188350

0 1
S 3.168261 -2.527750 -0.543097
O 1.754094 0.007521 -0.849156
O 1.475542 3.158741 0.027101
O 3.693456 2.216876 0.722827
N -0.402257 0.075597 0.125233
N -2.261488 0.883608 -1.321792
N -4.406897 -0.188289 -0.857008
N -4.721655 -1.774637 0.858585
C 0.693608 0.878209 -0.447717
C 1.278827 1.875927 0.595680
C 2.654276 1.276374 1.002309
C 2.908456 0.093535 0.035642
C 3.073321 -1.243067 0.732279
C -1.727128 0.093715 -0.328179
C -0.316300 -0.898515 1.162252
C -2.476064 -0.854109 0.452701
C -1.557449 -1.459681 1.376849
C -3.861217 -0.957770 0.145792
C 4.945044 -2.663792 -0.833897
C -3.587425 0.689438 -1.525266
H 0.337918 1.371794 -1.392666
H 0.595562 2.076485 1.449163
H 2.705925 1.003212 2.074109
H 3.754189 0.325657 -0.657109
H 2.189012 -1.488908 1.363903
H 3.956503 -1.253920 1.395473
H 0.631081 -1.117626 1.631233
H 2.093435 3.106152 -0.749559
H 3.439978 3.113334 1.063758
H -1.809512 -2.210453 2.098911
H 5.485259 -3.012963 0.051501
H 5.383219 -1.718112 -1.169231
H 5.090572 -3.403918 -1.634050
H -4.070540 1.290859 -2.313916
H -4.345457 -2.515147 1.424300
H -5.667950 -1.895977 0.524245


%chk=000188350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188350

0 1
S 4.234969 -2.603673 1.044982
O 1.835311 -0.942456 -0.344603
O 0.591693 2.508198 -0.151319
O 2.987051 2.001126 -1.153715
N -0.499222 -0.582823 -0.149605
N -1.851939 1.476102 -0.075125
N -4.214903 1.093761 0.389279
N -5.142680 -1.023271 0.743446
C 0.776034 0.036711 -0.551238
C 1.168029 1.268472 0.312949
C 2.701882 1.303739 0.096677
C 3.104964 -0.188517 -0.049761
C 3.749559 -0.785563 1.204061
C -1.690336 0.114556 0.005413
C -0.758976 -1.955435 0.009935
C -2.727905 -0.832320 0.277370
C -2.116461 -2.141716 0.278811
C -4.028656 -0.268207 0.471259
C 5.757633 -2.408460 -0.046204
C -3.138046 1.883830 0.126211
H 0.718931 0.340816 -1.618138
H 0.926968 1.054323 1.375185
H 3.223381 1.796106 0.941049
H 3.764422 -0.285850 -0.931084
H 3.054600 -0.749776 2.060534
H 4.663339 -0.219386 1.461449
H 0.057903 -2.667619 -0.072619
H -0.435368 2.348046 -0.181447
H 2.259882 2.683741 -1.242838
H -2.589934 -3.105595 0.457226
H 6.483578 -1.728760 0.429440
H 5.482819 -2.039700 -1.046811
H 6.201049 -3.412321 -0.137951
H -3.325615 2.959567 0.073398
H -5.096888 -2.035241 0.819140
H -6.030868 -0.540007 0.865845


