%chk=000197001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197001

0 1
O -0.248120 -2.771562 -0.081341
O -3.134290 -3.149808 -0.308525
O 4.869262 0.738188 0.178662
O 4.221411 -1.316588 -0.818430
N -2.051233 3.147567 0.201925
C -1.012560 2.122810 -0.166048
C -1.562728 0.707130 -0.169502
C 0.141445 2.186354 0.865139
C -2.943066 0.450212 -0.197851
C -0.633750 -0.358022 -0.138740
C -3.319797 2.914378 -0.563154
C -3.928910 1.578775 -0.117820
C 1.201874 1.201252 0.467778
C 0.808549 -0.040078 -0.075235
C -1.118259 -1.681147 -0.132682
C -3.415678 -0.863615 -0.259603
C -1.549872 4.530229 -0.067590
C 2.564428 1.554611 0.615699
C -2.505965 -1.932213 -0.235981
C 1.773301 -0.956528 -0.568290
C 3.485565 0.637332 0.162298
C 3.092909 -0.595864 -0.432050
C 5.370764 -0.490787 -0.447939
C 0.228589 -3.054428 1.265671
C -2.332846 -4.337271 -0.538322
H -0.591995 2.320539 -1.192292
H -0.249776 1.950001 1.879319
H 0.540994 3.216167 0.938632
H -3.170525 2.917314 -1.664785
H -4.025547 3.740727 -0.328762
H -4.835888 1.363882 -0.716405
H -4.269501 1.662438 0.940465
H -4.480315 -1.082621 -0.315273
H -2.296417 5.254639 0.296550
H -1.336390 4.749494 -1.124113
H -0.628640 4.703228 0.513915
H 2.864168 2.500694 1.055533
H 1.469231 -1.901579 -1.027229
H 5.952018 -1.037179 0.305902
H 5.895668 -0.206477 -1.369220
H -0.613774 -3.309070 1.913464
H 0.782814 -2.196529 1.658510
H 0.889979 -3.911325 1.101804
H -3.093409 -5.063949 -0.845829
H -1.845636 -4.628854 0.395473
H -1.591584 -4.165067 -1.326330


%chk=000197001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197001

0 1
O -0.126170 -2.794153 0.195934
O -2.923020 -3.294831 0.153706
O 5.018203 0.899350 0.133685
O 4.406064 -1.280092 -0.662443
N -2.043447 3.151739 0.113630
C -0.983869 2.139981 -0.141754
C -1.510805 0.700484 -0.068708
C 0.188161 2.263468 0.859676
C -2.898451 0.422284 -0.057775
C -0.546314 -0.362012 -0.001556
C -3.280588 2.843654 -0.644836
C -3.910397 1.555089 -0.100384
C 1.282210 1.283991 0.473651
C 0.905732 -0.020663 0.020482
C -1.026875 -1.702226 0.081844
C -3.345162 -0.918614 -0.011662
C -1.581919 4.532236 -0.146742
C 2.645739 1.676744 0.539985
C -2.422657 -1.974973 0.048579
C 1.916494 -0.943573 -0.401957
C 3.607944 0.750764 0.134244
C 3.242260 -0.526606 -0.334180
C 5.525847 -0.311637 -0.570255
C -0.110197 -3.412374 1.543045
C -2.562316 -4.196551 -0.964193
H -0.555553 2.290793 -1.173285
H -0.206146 2.054612 1.874855
H 0.596543 3.287905 0.868075
H -3.077808 2.736229 -1.742186
H -3.982313 3.688601 -0.521052
H -4.781641 1.265317 -0.718821
H -4.286375 1.752943 0.922505
H -4.413832 -1.158145 -0.022212
H -2.420303 5.230186 0.022789
H -1.211048 4.681405 -1.192968
H -0.772593 4.815083 0.546394
H 2.927951 2.673560 0.889677
H 1.649020 -1.940527 -0.749873
H 6.338646 -0.755308 0.024972
H 5.843279 -0.022791 -1.590672
H -1.116702 -3.785261 1.805542
H 0.235158 -2.676827 2.293352
H 0.605271 -4.246579 1.477873
H -3.004683 -5.171131 -0.706465
H -1.465900 -4.280754 -1.063457
H -3.000940 -3.823390 -1.909663


