%chk=000179835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179835

0 1
S 2.105882 2.660170 0.130202
O -0.360452 -0.591754 1.022391
O 5.518847 -0.430041 -0.015953
O 4.549560 -1.102071 1.917780
N -1.428497 1.224075 -1.262848
N -3.640012 1.147555 -1.854783
N -4.300097 -0.659915 -0.245439
N -2.484594 -1.478297 1.166831
N 2.222959 -0.898200 0.023494
N -4.691056 -2.273619 1.483868
C 0.001646 1.597062 -1.213307
C -2.029844 0.256330 -0.450155
C 0.335975 2.278364 0.110345
C -3.394772 0.227015 -0.845051
C 2.855938 1.332401 1.106418
C -2.426514 1.742801 -2.086081
C 3.250247 0.151200 0.210564
C -1.507873 -0.603113 0.621370
C -3.761537 -1.474928 0.791404
C 4.457051 -0.553682 0.848343
C 6.764466 -1.069087 0.372612
H 0.609534 0.657625 -1.334391
H 0.241035 2.252686 -2.082519
H -0.217604 3.229705 0.239618
H 0.054575 1.635188 0.975944
H 2.194864 1.008276 1.936092
H 3.743471 1.786069 1.599362
H -2.265504 2.517265 -2.825843
H 3.555615 0.517797 -0.813781
H -5.291510 -0.602006 -0.468947
H 1.373138 -0.504078 -0.390061
H 1.932345 -1.308708 0.915798
H -5.432860 -2.709109 0.951531
H -4.280596 -2.899580 2.179877
H 6.669106 -2.145668 0.199661
H 6.988365 -0.862943 1.424475
H 7.494201 -0.609985 -0.301722


%chk=000179835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179835

0 1
S 2.371855 2.627742 -0.944642
O -0.315463 -1.505415 -0.364899
O 5.434049 -0.532779 0.204736
O 4.325634 -1.051815 2.186582
N -1.578026 1.287561 -1.095872
N -3.811216 1.686000 -0.763250
N -4.335942 -0.558669 0.164468
N -2.484189 -2.109189 0.319148
N 1.864011 -0.179976 1.077959
N -4.617558 -2.756506 1.009522
C -0.156087 1.525077 -1.452852
C -2.116398 0.110918 -0.542897
C 0.588727 2.327846 -0.365391
C -3.479804 0.404720 -0.361512
C 3.392573 1.666692 0.328766
C -2.623928 2.190714 -1.201944
C 3.106795 0.134075 0.368768
C -1.544177 -1.193362 -0.208487
C -3.772722 -1.799144 0.485805
C 4.315969 -0.555957 1.036600
C 6.668445 -1.145453 0.759447
H 0.318624 0.538998 -1.576002
H -0.127623 2.055366 -2.421872
H 0.125092 3.313409 -0.191438
H 0.657554 1.741948 0.566848
H 3.212859 2.102818 1.325214
H 4.429638 1.871983 0.010106
H -2.496639 3.192434 -1.604992
H 3.060471 -0.225468 -0.675825
H -5.325018 -0.337254 0.292127
H 1.209853 -0.796466 0.573402
H 2.024983 -0.469134 2.049304
H -5.608344 -2.604367 1.176081
H -4.193974 -3.652607 1.238300
H 6.493664 -2.211185 0.982409
H 6.970165 -0.625975 1.684426
H 7.421645 -1.022780 -0.031044


