%chk=000205578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205578

0 1
O -2.489045 -1.485911 -1.696665
O 1.069576 -3.729552 0.919408
O 1.445507 2.871971 0.049290
O 3.415756 -2.170039 0.343430
O -5.434606 0.757002 -0.537849
N -0.302856 0.502887 -0.231192
N -3.552399 0.880034 0.733106
N 5.179406 -0.160486 0.130607
C -2.675517 0.605812 -0.414995
C -2.210206 -0.911830 -0.418205
C -0.729142 -0.841254 -0.271955
C -1.390253 1.489383 -0.364971
C 1.050812 0.555895 -0.073156
C 0.392607 -1.665201 -0.153296
C 1.515128 -0.789582 -0.019793
C 1.929223 1.755107 0.039501
C 0.394270 -3.156987 -0.200029
C 2.920134 -1.070563 0.164398
C 3.363200 1.447537 0.132233
C 3.837987 0.162753 0.156745
C -4.948609 0.946384 0.562146
C 4.273563 2.630762 0.177713
C -5.725726 1.253235 1.805703
H -3.239643 0.801734 -1.370620
H -2.703907 -1.514080 0.373426
H -1.263675 2.085405 -1.298478
H -1.374828 2.222317 0.471925
H -3.116288 0.972950 1.644519
H -0.629393 -3.578592 -0.119594
H 0.862366 -3.516338 -1.140545
H -3.460993 -1.592976 -1.817723
H 3.699165 3.574699 0.189898
H 4.926482 2.673563 -0.704832
H 4.899491 2.633584 1.079082
H 2.035188 -3.478277 0.899031
H 5.454280 -1.118633 0.315240
H 5.874067 0.547004 0.294973
H -6.804456 1.297132 1.572556
H -5.600383 0.488021 2.583774
H -5.456681 2.225130 2.242297


%chk=000205578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205578

0 1
O -2.751375 -1.626935 -1.017416
O 1.291612 -3.850033 0.607815
O 1.549028 2.914591 0.280285
O 3.497198 -2.258967 -0.143536
O -5.127317 -0.400619 -0.346315
N -0.228189 0.535650 0.096873
N -3.734135 1.189283 0.602689
N 5.240205 -0.244329 -0.072913
C -2.556136 0.739459 -0.156005
C -2.200808 -0.796901 0.038646
C -0.698626 -0.781011 -0.006769
C -1.283219 1.553071 0.230800
C 1.145732 0.554175 0.077763
C 0.394327 -1.651848 -0.109765
C 1.565588 -0.795424 -0.053704
C 2.032157 1.725486 0.162662
C 0.365843 -3.152710 -0.286014
C 2.981796 -1.082917 -0.082358
C 3.471144 1.437502 0.098778
C 3.915550 0.117574 -0.017643
C -4.971994 0.604108 0.425738
C 4.444783 2.592395 0.168687
C -6.136246 1.215860 1.187320
H -2.755217 0.848849 -1.240633
H -2.572724 -1.126510 1.034752
H -1.077996 2.412949 -0.425217
H -1.318997 1.923484 1.274455
H -3.639827 1.978700 1.243908
H -0.638958 -3.540400 -0.055229
H 0.584174 -3.401957 -1.347914
H -3.742283 -1.455299 -0.991680
H 3.882978 3.537260 0.244966
H 5.086784 2.648411 -0.733562
H 5.111104 2.521736 1.052280
H 2.219712 -3.549297 0.374367
H 5.447794 -1.243828 -0.143651
H 5.988818 0.441074 -0.028220
H -6.640685 0.428103 1.771597
H -5.838373 2.032714 1.866562
H -6.873620 1.606551 0.464703


