%chk=000232198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232198

0 1
O -2.679569 1.872953 0.361649
O -0.813055 -2.254526 0.745105
O -3.930181 0.133661 -0.387200
O -1.884290 -0.882955 2.193695
O 1.894311 1.810591 1.390259
O -1.192549 0.893531 -2.776839
N -1.454867 -0.910786 -1.386592
C -1.487506 -0.138259 -0.130690
C -0.313328 0.852386 0.004903
C 1.052142 0.185846 -0.153884
C -2.862099 0.601378 -0.079983
C -1.457990 -1.090935 1.088959
C 2.140202 0.943660 0.579312
C -1.326703 -0.308131 -2.652701
C 3.554579 0.577377 0.245944
C -3.865571 2.728955 0.513117
C -0.719869 -3.309562 1.762778
C -1.370031 -1.281361 -3.795574
C 3.911098 -0.693167 -0.226441
C 4.546215 1.552700 0.436433
C -4.614379 2.340304 1.767917
C -2.047052 -4.024369 1.880763
C 5.247687 -0.981430 -0.514582
C 5.881041 1.264236 0.140976
C 6.231886 -0.002752 -0.335189
H -0.384857 1.382594 0.985847
H -0.434960 1.658855 -0.759576
H 1.027781 -0.863144 0.217684
H 1.305014 0.107117 -1.233071
H -1.586680 -1.919476 -1.294328
H -3.382479 3.721926 0.575737
H -4.476607 2.641501 -0.402092
H 0.082416 -3.935727 1.332143
H -0.395729 -2.847554 2.713035
H -2.362719 -1.743524 -3.901003
H -0.629532 -2.085685 -3.707270
H -1.165452 -0.752651 -4.742413
H 3.154992 -1.464692 -0.365339
H 4.262660 2.535715 0.823402
H -5.390961 3.072503 2.017252
H -5.103667 1.360708 1.656617
H -3.938582 2.261189 2.631615
H -1.972187 -4.903415 2.533438
H -2.820003 -3.367106 2.310033
H -2.418993 -4.364446 0.906063
H 5.524107 -1.969174 -0.879215
H 6.646441 2.025387 0.285738
H 7.272674 -0.229551 -0.564633


%chk=000232198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232198

0 1
O -2.688774 1.748482 0.506047
O -1.153641 -2.474122 0.567248
O -3.775461 -0.082303 -0.442681
O -1.288807 -0.822285 2.207012
O 2.102144 2.517416 0.118661
O -1.758305 1.003822 -2.710447
N -1.217241 -0.869701 -1.452994
C -1.306111 -0.147292 -0.173129
C -0.162187 0.894084 0.007576
C 1.230244 0.246722 -0.059238
C -2.732948 0.505916 -0.080281
C -1.255176 -1.153317 1.004367
C 2.357208 1.281705 0.021417
C -1.493010 -0.236282 -2.653821
C 3.783055 0.798169 -0.017644
C -4.002181 2.450852 0.683234
C -1.193354 -3.539004 1.625982
C -1.467494 -1.127241 -3.889460
C 4.124007 -0.577316 -0.126254
C 4.823674 1.763753 0.058565
C -4.675742 2.008224 1.984141
C -2.641450 -3.898486 1.962362
C 5.477350 -0.977001 -0.156288
C 6.174097 1.365085 0.028025
C 6.504897 -0.007911 -0.078998
H -0.303374 1.405037 0.972460
H -0.270851 1.656058 -0.780238
H 1.371848 -0.482375 0.766083
H 1.343093 -0.328219 -1.000928
H -1.154978 -1.888764 -1.401282
H -3.717400 3.514338 0.699200
H -4.629409 2.234961 -0.198907
H -0.646599 -4.377853 1.166984
H -0.649981 -3.163027 2.510185
H -2.493956 -1.215218 -4.287322
H -1.075128 -2.139671 -3.691869
H -0.852614 -0.647045 -4.668852
H 3.339101 -1.338450 -0.187930
H 4.540162 2.818352 0.141327
H -5.592618 2.604804 2.146956
H -4.960329 0.943928 1.937105
H -4.004290 2.161405 2.846112
H -2.654862 -4.733085 2.687533
H -3.164170 -3.040570 2.416562
H -3.192349 -4.213699 1.060111
H 5.732723 -2.039120 -0.239895
H 6.968807 2.116714 0.087239
H 7.555181 -0.319775 -0.102239


