%chk=000187552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187552

0 1
S -2.136948 -1.026160 -0.026196
O -0.123391 0.943736 1.757582
O 3.159922 -3.714376 0.257316
O 2.596888 2.464013 -1.037821
N 1.893781 0.138130 0.026388
N 3.858330 0.579799 -1.359178
N 3.489229 -1.587383 -0.539288
C 1.130954 -0.794715 0.750065
C -0.109312 -0.216074 1.415060
C -1.282228 -1.132877 1.569295
C 3.068904 -0.336640 -0.603197
C 1.515954 -2.088531 0.849408
C -3.407882 0.164861 0.240887
C 2.757193 -2.577713 0.198802
C -4.687307 -0.180694 -0.203260
C -3.142855 1.415213 0.801312
C -5.720260 0.755832 -0.090515
C -4.185750 2.339972 0.919453
C 3.580257 1.961206 -1.546095
C -5.470386 2.012581 0.471819
C 4.580851 2.678928 -2.390511
H -1.011156 -2.192950 1.752073
H -1.931921 -0.830953 2.417221
H 1.612205 1.141382 -0.006218
H 0.951537 -2.839039 1.399141
H 4.694557 0.151896 -1.790666
H -4.887159 -1.163544 -0.632256
H -2.138884 1.681135 1.147416
H -6.721122 0.503143 -0.437831
H -3.992852 3.318897 1.357278
H -6.278315 2.737937 0.561425
H 4.299812 3.743869 -2.489675
H 4.645628 2.273040 -3.412057
H 5.594325 2.658679 -1.960475


%chk=000187552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187552

0 1
S -2.360003 -1.337116 0.415484
O -0.064278 1.328109 1.140946
O 2.765616 -3.808010 -0.256612
O 3.031905 2.596285 -0.865814
N 2.043947 0.220463 -0.108007
N 4.059262 0.559112 -1.350369
N 3.426958 -1.618455 -0.819701
C 1.119306 -0.638738 0.490440
C -0.035854 0.060307 1.145153
C -1.146588 -0.762424 1.769857
C 3.145835 -0.325390 -0.737079
C 1.334600 -2.001453 0.445098
C -3.674707 -0.037500 0.485245
C 2.536310 -2.564772 -0.219941
C -4.984863 -0.461683 0.155164
C -3.411102 1.316219 0.798304
C -6.037549 0.480624 0.134818
C -4.478818 2.244145 0.794168
C 3.985644 1.956743 -1.405746
C -5.789968 1.834910 0.459462
C 5.124202 2.626965 -2.153575
H -0.785863 -1.682317 2.253070
H -1.708226 -0.153659 2.493563
H 1.916797 1.252718 -0.094371
H 0.633551 -2.711890 0.887711
H 4.840263 0.064666 -1.792029
H -5.183336 -1.515044 -0.070916
H -2.395704 1.657369 1.026677
H -7.050107 0.150093 -0.121402
H -4.274888 3.292034 1.040438
H -6.609380 2.561592 0.451369
H 4.964967 3.714191 -2.140238
H 5.167006 2.283348 -3.203200
H 6.097664 2.401158 -1.681262


