%chk=000187724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187724

0 1
S -0.662811 -0.474700 -1.573700
O -2.423229 2.757272 0.491760
O 0.260213 -1.584057 -1.759632
O -1.379202 0.014550 -2.742672
N 0.242929 0.871120 -0.957802
C -0.985480 2.490594 0.405499
C -0.482650 2.167599 -0.993418
C -1.499598 3.868744 0.718372
C 1.711160 0.979896 -1.220122
C 2.452078 0.142322 -0.185325
C 2.090050 0.621373 -2.659457
C -1.799677 -0.796617 -0.325713
C -1.462364 -1.465749 0.861331
C 2.823103 0.748127 1.025922
C 2.781678 -1.200804 -0.410906
C -3.121907 -0.363550 -0.531399
C -2.461639 -1.693530 1.830301
C -0.076750 -1.933879 1.128266
C 3.528293 0.022766 1.989760
C 3.491896 -1.922689 0.552521
C -4.103637 -0.593018 0.427532
C -3.766534 -1.260106 1.614582
C 3.868946 -1.312852 1.752738
H -0.611829 1.847021 1.210702
H 0.172225 2.991691 -1.358609
H -1.346316 2.146573 -1.708711
H -1.496587 4.246320 1.738082
H -1.539010 4.642269 -0.044200
H 2.006637 2.057756 -1.056943
H 3.157088 0.795434 -2.839319
H 1.527507 1.213167 -3.390792
H 1.903137 -0.440799 -2.894777
H 2.561114 1.786512 1.219293
H 2.456871 -1.693695 -1.335524
H -3.384039 0.159427 -1.461142
H -2.206979 -2.211175 2.752935
H 0.358461 -2.477616 0.264019
H -0.001980 -2.608044 1.990017
H 0.608828 -1.089519 1.323386
H 3.815641 0.499530 2.924745
H 3.749327 -2.963916 0.364997
H -5.122686 -0.249289 0.262854
H -4.532418 -1.438030 2.371042
H 4.425140 -1.874929 2.499907


%chk=000187724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187724

0 1
S -0.670057 -0.333983 -1.372533
O -2.603567 2.646355 0.054666
O 0.301594 -1.605176 -1.680744
O -1.518861 0.304964 -2.620390
N 0.413156 1.119175 -0.562325
C -1.122991 2.958683 0.135020
C -0.237701 2.412110 -0.968338
C -2.104226 4.053720 -0.157051
C 1.875682 1.027288 -0.992597
C 2.647828 0.012019 -0.143410
C 2.103541 0.929095 -2.519275
C -1.926894 -0.773647 -0.015367
C -1.545906 -1.539297 1.113455
C 2.903959 0.330949 1.215961
C 3.147293 -1.208025 -0.658713
C -3.229863 -0.319559 -0.275850
C -2.603201 -1.850998 2.011026
C -0.134960 -2.011275 1.393605
C 3.636590 -0.546290 2.045128
C 3.884248 -2.087504 0.165905
C -4.248503 -0.653241 0.642410
C -3.929792 -1.421081 1.784048
C 4.131420 -1.762985 1.519526
H -0.722431 2.861877 1.152272
H 0.563078 3.148511 -1.179482
H -0.831204 2.296302 -1.901405
H -2.370885 4.766580 0.632579
H -2.204678 4.422328 -1.186621
H 2.247434 2.023007 -0.667081
H 3.178379 1.036252 -2.750898
H 1.556941 1.732644 -3.044459
H 1.752769 -0.036154 -2.919353
H 2.521317 1.274432 1.625623
H 2.945634 -1.484771 -1.696775
H -3.429222 0.279898 -1.168254
H -2.367145 -2.445155 2.901307
H 0.259676 -2.618227 0.561100
H -0.105291 -2.607926 2.320222
H 0.557271 -1.157747 1.509960
H 3.825904 -0.281007 3.091505
H 4.259726 -3.030083 -0.248095
H -5.271653 -0.307442 0.466379
H -4.713955 -1.686272 2.501829
H 4.704545 -2.446846 2.155890


