%chk=000215239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215239

0 1
S -2.170886 -2.019864 -0.400016
O -3.129899 -2.572999 0.528486
O -2.160917 -2.417991 -1.787322
O 0.440234 -0.672285 1.966564
N -0.644934 -2.572146 0.304721
N 0.447894 -1.757824 -0.048061
N 4.674143 1.032351 -0.270561
C -2.160566 -0.302649 -0.313621
C -2.176407 0.447635 -1.496123
C -2.168812 0.353891 0.923841
C -2.204848 2.501632 -0.206872
C -2.195652 1.840623 -1.448035
C -2.189787 1.746568 0.979592
C -2.235201 3.990774 -0.138289
C 1.011451 -0.885276 0.912552
C 2.285234 -0.226150 0.477377
C 3.401875 -0.287797 1.317913
C 2.360011 0.469854 -0.733769
C 4.580891 0.355826 0.902744
C 3.577630 1.087529 -1.069071
H -2.176547 -0.063697 -2.467386
H -2.146977 -0.220392 1.857348
H -2.211952 2.414836 -2.372323
H -2.191695 2.248944 1.946059
H -0.669095 -2.802731 1.320987
H 1.042304 -2.210020 -0.758531
H -1.436474 4.384404 0.508571
H -2.119848 4.471063 -1.119226
H -3.189165 4.347107 0.282067
H 3.356381 -0.807910 2.274899
H 1.498688 0.543844 -1.396724
H 5.486265 0.338096 1.523133
H 3.691060 1.647757 -2.005926


%chk=000215239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215239

0 1
S -1.357067 -1.193875 -0.352129
O -2.508241 -2.264884 -0.794592
O -0.066580 -0.911631 -1.349627
O 1.509871 0.365701 1.392249
N -0.112866 -1.916634 1.428542
N 1.129966 -1.860168 0.866380
N 5.466929 -0.831169 -1.688422
C -2.225312 0.455711 -0.028179
C -1.450443 1.582985 0.285306
C -3.627902 0.474599 -0.114952
C -3.547455 2.880473 0.429758
C -2.132210 2.800558 0.512077
C -4.280572 1.704087 0.114833
C -4.269029 4.194894 0.663794
C 1.886091 -0.658841 0.750480
C 3.114253 -0.741856 -0.091186
C 4.287665 -0.058470 0.313443
C 3.122281 -1.445126 -1.323352
C 5.432417 -0.139470 -0.508300
C 4.316987 -1.458653 -2.078411
H -0.358094 1.526575 0.354982
H -4.177029 -0.439273 -0.364348
H -1.552152 3.697041 0.757771
H -5.373944 1.749663 0.048587
H -0.205278 -1.031191 1.993863
H 1.415558 -2.697785 0.352878
H -5.076429 4.083108 1.410346
H -3.580941 4.979069 1.021267
H -4.738415 4.559733 -0.269374
H 4.298402 0.516566 1.244117
H 2.208505 -1.902995 -1.717217
H 6.362865 0.364207 -0.224953
H 4.362565 -1.979947 -3.040631


