%chk=000211377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211377

0 1
S 3.667437 0.538960 2.133301
P 4.022986 0.314805 0.281216
O 2.891703 0.931569 -0.767529
O 4.176217 -1.205664 -0.301641
O 5.361013 1.021778 -0.331439
O -4.678400 -0.482417 -0.090490
O -5.590096 1.669722 0.007845
N -6.855604 -0.220427 0.554884
N -3.417787 0.137150 -0.099782
C 1.581351 0.474012 -0.606004
C 0.637188 1.415015 -0.177840
C 1.233866 -0.832332 -0.976489
C -1.083458 -0.274830 -0.487243
C 4.989668 -2.134961 0.493384
C 5.562181 2.440953 -0.007338
C -0.702222 1.030456 -0.123253
C -0.109141 -1.198900 -0.911705
C 4.824768 -3.443166 -0.254959
C 6.907378 2.738014 -0.639696
C -2.491819 -0.712735 -0.438124
C -6.898949 -1.695343 0.412267
C -8.152281 0.470601 0.334353
C -5.714577 0.479287 0.121556
H 0.950785 2.419514 0.103313
H 1.997468 -1.538292 -1.310874
H 6.037492 -1.778923 0.486002
H 4.595639 -2.192088 1.527350
H 4.744302 3.026026 -0.470126
H 5.577033 2.576517 1.091899
H -1.461260 1.748373 0.206369
H -0.400108 -2.210331 -1.196369
H 3.785977 -3.797853 -0.219608
H 5.080080 -3.322797 -1.318419
H 5.467549 -4.227056 0.162123
H 7.167087 3.799064 -0.550492
H 6.906695 2.474737 -1.708017
H 7.708456 2.148076 -0.173896
H -2.679642 -1.767946 -0.698830
H -7.707148 -2.099537 1.044949
H -5.945498 -2.129082 0.771209
H -7.061259 -2.028082 -0.625249
H -8.595165 0.257056 -0.650867
H -8.016268 1.566759 0.423318
H -8.859237 0.158017 1.121639


%chk=000211377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211377

0 1
S 3.983407 0.267929 2.363011
P 4.162358 0.201942 0.311907
O 2.833563 0.792348 -0.657435
O 4.403078 -1.333534 -0.433548
O 5.436999 1.100813 -0.411341
O -4.893392 -0.452907 0.014133
O -5.859101 1.726544 -0.141991
N -7.179172 -0.196527 0.139187
N -3.595899 0.225344 -0.137967
C 1.488371 0.387622 -0.460908
C 0.509708 1.408768 -0.497257
C 1.128473 -0.969597 -0.310272
C -1.239242 -0.293855 -0.227531
C 5.518374 -2.194354 0.077587
C 5.714353 2.487940 0.078716
C -0.848088 1.067588 -0.387758
C -0.235549 -1.299787 -0.189678
C 5.335875 -3.558330 -0.579596
C 7.065623 2.882128 -0.507950
C -2.648755 -0.688470 -0.100442
C -7.298610 -1.654518 0.293152
C -8.432219 0.574625 0.149077
C -5.990060 0.492623 -0.009025
H 0.829622 2.448290 -0.613318
H 1.903298 -1.742375 -0.305522
H 6.475135 -1.721237 -0.209485
H 5.449697 -2.250176 1.181338
H 4.901604 3.146722 -0.278360
H 5.723576 2.481808 1.185830
H -1.621474 1.841457 -0.415525
H -0.525564 -2.350706 -0.070903
H 4.371323 -4.008091 -0.289139
H 5.366637 -3.468935 -1.678424
H 6.148844 -4.236367 -0.260403
H 7.316254 3.914492 -0.201383
H 7.039180 2.842193 -1.609813
H 7.861090 2.207174 -0.149563
H -2.880039 -1.758504 0.026399
H -7.790176 -1.899620 1.255098
H -6.306014 -2.121466 0.272195
H -7.911741 -2.077398 -0.526766
H -9.093205 0.250732 -0.677944
H -8.195280 1.641619 0.025467
H -8.968459 0.429754 1.106847


