%chk=000198407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198407

0 1
O -2.048939 -1.231936 -0.720643
O -2.006212 1.259098 -0.023869
O -5.512950 -0.826761 -1.660145
O -2.896743 0.294662 1.820347
O -0.494238 -0.651006 -2.278017
O 1.549057 -2.126251 1.326519
O 3.918588 0.968869 1.007276
O 8.528237 0.259457 -0.502833
N 1.329171 -0.282696 -0.017967
N 6.501990 0.936620 0.367659
C -4.230505 0.563251 -0.257085
C -4.369007 -0.883400 -0.791471
C -5.504177 0.997899 0.487826
C -3.163635 -1.338061 -1.664477
C -5.506479 2.500946 0.788143
C -3.037137 0.642337 0.677489
C -0.639656 1.188894 0.490347
C -0.129592 -0.249899 0.148159
C -3.253339 -2.782833 -2.108722
C -6.798499 2.920539 1.503701
C -0.842052 -0.713951 -1.129296
C 0.059976 2.316508 -0.240865
C -6.813616 4.417282 1.804415
C 2.074449 -1.341334 0.566406
C 3.519402 -1.313642 0.205653
C 4.343236 -0.210280 0.440982
C 4.078785 -2.472750 -0.368999
C 5.729009 -0.230665 0.093045
C 5.423570 -2.500259 -0.716769
C 6.249846 -1.388506 -0.492389
C 7.862113 1.109940 0.052850
H -4.066594 1.248091 -1.133945
H -4.554020 -1.599933 0.039025
H -6.383475 0.733291 -0.140236
H -5.610983 0.419764 1.428030
H -2.987856 -0.645475 -2.517625
H -4.631757 2.767296 1.413687
H -5.394786 3.078240 -0.150383
H -0.661868 1.329964 1.593802
H -0.429595 -0.946433 0.997009
H -2.348247 -3.072076 -2.666243
H -4.107836 -2.955002 -2.773158
H -3.324769 -3.473971 -1.258236
H -7.676990 2.655140 0.883121
H -6.909104 2.349301 2.446786
H -5.873983 -1.725860 -1.805600
H 1.091666 2.453242 0.101702
H 0.073660 2.154905 -1.329070
H -0.472909 3.266840 -0.081541
H 1.682057 0.174817 -0.864653
H -6.743141 5.015267 0.888689
H -5.977913 4.708121 2.451378
H -7.738653 4.708427 2.315095
H 3.444101 -3.346368 -0.531941
H 5.853192 -3.396352 -1.166802
H 7.312122 -1.429372 -0.774123
H 5.993270 1.691889 0.840151
H 2.985650 0.916697 1.347062
H 8.250605 2.095179 0.362843


%chk=000198407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198407

0 1
O -2.012132 -1.300282 -0.734223
O -1.971417 1.400755 -0.286009
O -5.592303 -0.890532 -1.614117
O -2.779386 0.495627 1.711353
O -0.433090 -0.677147 -2.353640
O 1.381244 -2.449470 0.682714
O 3.708793 0.983996 0.570055
O 8.625996 0.406045 0.091057
N 1.391975 -0.231621 -0.119473
N 6.347920 0.962252 0.375038
C -4.256201 0.619300 -0.284694
C -4.367747 -0.852436 -0.797932
C -5.482726 1.000706 0.582284
C -3.177274 -1.326334 -1.678428
C -5.546703 2.509066 0.910083
C -2.967973 0.802548 0.516560
C -0.559468 1.332695 0.207591
C -0.070124 -0.161947 0.042425
C -3.343619 -2.736996 -2.246831
C -6.778963 2.875192 1.768172
C -0.810560 -0.758849 -1.165186
C 0.193628 2.364876 -0.633569
C -6.857767 4.382412 2.092356
C 2.038762 -1.471984 0.236723
C 3.521362 -1.453998 0.086476
C 4.276850 -0.260871 0.255130
C 4.207979 -2.675027 -0.156538
C 5.699318 -0.280700 0.163607
C 5.608671 -2.690017 -0.264964
C 6.362164 -1.500384 -0.111060
C 7.707465 1.235527 0.335595
H -4.204715 1.272708 -1.176352
H -4.447698 -1.534438 0.076107
H -6.391483 0.697384 0.032460
H -5.446970 0.420377 1.525649
H -2.977540 -0.598109 -2.487282
H -4.628762 2.818390 1.450936
H -5.571367 3.093087 -0.033630
H -0.551353 1.584344 1.283464
H -0.353621 -0.742073 0.933757
H -2.416948 -3.050276 -2.755132
H -4.156859 -2.755901 -2.994035
H -3.564369 -3.466855 -1.446807
H -7.700118 2.560233 1.236653
H -6.748560 2.293316 2.711642
H -5.928954 -1.819838 -1.659148
H 1.237350 2.478735 -0.293371
H 0.186308 2.092757 -1.703999
H -0.300972 3.344723 -0.528237
H 1.716456 0.154714 -1.020442
H -6.919931 4.984943 1.166430
H -5.961641 4.715221 2.649426
H -7.744730 4.617998 2.708627
H 3.615875 -3.590232 -0.253743
H 6.130996 -3.630084 -0.467146
H 7.451346 -1.500197 -0.187438
H 5.710336 1.737209 0.589495
H 2.706527 0.867601 0.632645
H 7.909219 2.309560 0.551010


