%chk=000195031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195031

0 1
S 0.268374 -1.094807 -0.216155
O 0.424895 -0.094283 -1.260240
O -0.187948 -2.421486 -0.571966
O 1.692972 1.244551 1.254874
O 3.406083 1.984364 0.029094
N 4.211898 -0.894521 0.857029
C 2.996203 -0.478718 0.110812
C 1.826172 -1.326830 0.614407
C -0.773993 -0.443100 1.054004
C 3.253148 -0.617987 -1.387881
C -2.136177 -0.113026 0.525799
C 2.754172 1.039787 0.391737
C -3.268555 -0.750209 1.055638
C -2.287852 0.853892 -0.481717
C -4.541699 -0.416768 0.583641
C -3.562747 1.180506 -0.947345
C -4.692525 0.550079 -0.414252
H 2.131234 -2.400990 0.514650
H 1.723994 -1.201048 1.710864
H -0.854318 -1.143582 1.910936
H -0.327830 0.479622 1.497542
H 4.103898 -0.010184 -1.724795
H 3.463661 -1.660094 -1.663007
H 2.385237 -0.285519 -1.993022
H 4.165070 -0.693035 1.849143
H 5.063419 -0.491520 0.476021
H -3.162326 -1.511145 1.825565
H -1.407698 1.331473 -0.923690
H -5.417710 -0.916680 0.994310
H -3.675247 1.926378 -1.733536
H 1.532915 2.212922 1.428634
H -5.684221 0.807159 -0.780493


%chk=000195031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195031

0 1
S 0.253479 -1.024960 -0.144644
O 0.431548 0.152341 -1.279566
O -0.280369 -2.508527 -0.581738
O 2.029928 1.455486 1.100872
O 3.334048 1.840066 -0.785654
N 4.291551 -0.694612 0.952464
C 3.107762 -0.492796 0.079538
C 1.971251 -1.280778 0.756722
C -0.978745 -0.304981 1.298916
C 3.425123 -1.024098 -1.331663
C -2.303878 -0.016691 0.700692
C 2.821920 1.027355 0.005530
C -3.323011 -1.008388 0.698596
C -2.556211 1.240578 0.085878
C -4.577661 -0.738313 0.114393
C -3.811261 1.507495 -0.498414
C -4.825696 0.520755 -0.482076
H 2.135561 -2.366272 0.687591
H 1.792539 -0.952430 1.792537
H -0.961544 -1.134808 2.022037
H -0.399698 0.568709 1.632525
H 4.264114 -0.455935 -1.769165
H 3.696175 -2.091919 -1.271994
H 2.553590 -0.895530 -1.993095
H 4.252316 -0.236216 1.867780
H 5.190233 -0.589677 0.473414
H -3.123905 -1.989000 1.145576
H -1.762243 1.994855 0.054753
H -5.357947 -1.506934 0.116380
H -3.998049 2.476900 -0.972802
H 1.932019 2.444418 1.048330
H -5.800440 0.729107 -0.937112


