%chk=000289111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289111

0 1
S 1.711696 1.782811 0.970637
O 4.580417 -0.460211 -0.112559
O 2.622456 -0.631509 -1.236161
O -3.742598 -1.761388 -1.173668
N -3.955438 0.094756 0.183104
C 2.340358 2.264069 -0.677096
C 3.671454 1.559010 -0.863173
C 0.055670 1.286509 0.654988
C -2.581107 0.465013 0.316194
C -0.971355 2.011466 1.265209
C -0.220840 0.159129 -0.123320
C -2.294972 1.603131 1.103662
C -1.540668 -0.254201 -0.300039
C 3.499414 0.063666 -0.778036
C 4.608537 -1.903852 0.131429
C -4.460101 -1.003526 -0.556773
C 3.678699 -2.244533 1.276363
C -5.957670 -1.127817 -0.497433
H 1.617308 1.986069 -1.469194
H 2.457273 3.362908 -0.709815
H 4.420620 1.900194 -0.110618
H 4.115785 1.811368 -1.852249
H -0.747532 2.893210 1.868886
H 0.592742 -0.405477 -0.601076
H -3.091731 2.164542 1.583224
H -1.760306 -1.136263 -0.912936
H -4.621283 0.690835 0.679150
H 5.676124 -2.051677 0.375108
H 4.340152 -2.423063 -0.805510
H 3.788700 -3.288348 1.590068
H 2.625774 -2.091155 0.992728
H 3.865631 -1.606022 2.150291
H -6.281109 -1.997014 -1.096579
H -6.327594 -1.292687 0.523095
H -6.471901 -0.250343 -0.910802


%chk=000289111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289111

0 1
S 1.583388 2.073511 1.015321
O 4.811155 -0.520708 -0.125950
O 2.670660 -0.716145 -1.029717
O -3.941560 -1.756494 -1.243170
N -4.138162 0.142498 0.127143
C 2.332606 2.174926 -0.737841
C 3.715956 1.511708 -0.773222
C -0.125942 1.474816 0.668004
C -2.779466 0.546965 0.279565
C -1.211278 2.166322 1.257003
C -0.372088 0.317452 -0.108586
C -2.527187 1.699437 1.071648
C -1.689019 -0.142645 -0.317556
C 3.635822 -0.004861 -0.661504
C 4.876034 -2.008979 0.044267
C -4.655085 -0.938523 -0.590945
C 4.270452 -2.418119 1.389374
C -6.176829 -1.070389 -0.533410
H 1.632072 1.666353 -1.417652
H 2.399190 3.241652 -1.004941
H 4.380520 1.896712 0.018772
H 4.207698 1.748298 -1.739986
H -1.027222 3.067773 1.850170
H 0.467937 -0.233748 -0.546932
H -3.361647 2.242407 1.534870
H -1.882464 -1.031763 -0.919967
H -4.821932 0.727654 0.612044
H 5.954168 -2.228000 -0.012357
H 4.343070 -2.481541 -0.799415
H 4.392037 -3.507463 1.536020
H 3.193344 -2.184022 1.422380
H 4.773430 -1.898107 2.222597
H -6.575764 -1.048071 -1.562108
H -6.434111 -2.054901 -0.105865
H -6.677178 -0.284407 0.059050


