%chk=000229173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229173

0 1
S 0.542762 1.906610 -0.026120
O 0.870153 2.907577 0.977149
O 0.304873 2.340114 -1.382501
N -1.422572 0.205655 -0.121971
N -0.937364 1.244066 0.629935
N 4.428547 -2.523509 0.157531
C -4.437257 -1.871068 -0.215614
C -4.948215 -0.686806 0.629453
C -3.067274 -1.457139 -0.782282
C -3.720368 0.174966 0.976738
C -2.618947 -0.271824 0.043693
C 1.667062 0.627949 0.019393
C 1.630555 -0.384593 -0.952317
C 2.637758 0.583418 1.033011
C 2.553033 -1.422222 -0.932411
C 3.572556 -0.440517 1.078523
C 3.533216 -1.459544 0.091442
H -5.145389 -2.123350 -1.021493
H -4.338080 -2.776489 0.408734
H -5.464634 -1.036003 1.538171
H -5.684932 -0.094451 0.058386
H -3.140354 -1.169483 -1.849288
H -2.334737 -2.283242 -0.733913
H -3.412855 0.025386 2.029577
H -3.939373 1.251560 0.860787
H -1.575631 1.831973 1.183635
H 0.866161 -0.354817 -1.739373
H 2.661393 1.374462 1.794707
H 2.514983 -2.200882 -1.687632
H 4.318459 -0.465836 1.866739
H 4.520638 -3.151544 -0.622036
H 5.225232 -2.472516 0.768549


%chk=000229173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229173

0 1
S 0.512652 1.821426 -0.162074
O 0.815794 3.020736 0.899041
O 0.215930 2.123255 -1.734550
N -1.561647 -0.000736 -0.163182
N -0.999002 0.940590 0.689384
N 4.844862 -2.379461 0.170591
C -4.720547 -1.842290 -0.026708
C -5.141737 -0.521035 0.677500
C -3.459667 -1.444271 -0.839937
C -3.794271 0.147922 1.065029
C -2.810019 -0.362744 0.012818
C 1.826472 0.518606 -0.051564
C 2.057705 -0.298584 -1.172863
C 2.564962 0.406678 1.140727
C 3.071757 -1.267901 -1.096025
C 3.578049 -0.563755 1.211874
C 3.843688 -1.418259 0.096945
H -5.522629 -2.260813 -0.658715
H -4.456216 -2.604787 0.730752
H -5.797020 -0.689369 1.549301
H -5.690247 0.124675 -0.034183
H -3.750429 -1.017872 -1.821623
H -2.769112 -2.280199 -1.040771
H -3.457469 -0.172551 2.072693
H -3.854304 1.255528 1.092301
H -1.603798 1.733234 1.010231
H 1.464155 -0.162636 -2.082045
H 2.360330 1.077359 1.981305
H 3.271278 -1.915221 -1.957692
H 4.170733 -0.665162 2.128297
H 5.044909 -2.986252 -0.619378
H 5.404240 -2.488209 1.011726


