%chk=000297108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297108

0 1
O -0.318326 0.080540 0.478638
O 2.958572 -0.410267 1.709123
O 0.353424 -0.413332 2.585768
N -3.484271 0.903416 -0.708127
C -2.533449 -0.817605 0.995540
C -1.657571 0.456789 0.953804
C -2.237105 1.472946 -0.081790
C -3.953670 -0.382610 1.415533
C -2.582895 -1.434509 -0.417752
C -4.486602 0.638575 0.381250
C -3.176848 -0.394338 -1.397228
C -1.209587 1.893179 -1.147051
C 2.266563 0.210266 -0.490167
C 1.953581 -0.688710 0.729697
C 2.274858 1.711456 -0.135158
C 3.660895 -0.071680 -1.085427
C 0.591897 -0.335833 1.403606
C 3.243610 2.372688 -1.129944
C 4.114794 1.249529 -1.731190
C -1.697170 3.076531 -1.974418
C 1.920499 -2.101827 0.404310
C 1.921532 -3.277942 0.133089
C 1.915919 -4.673060 -0.185278
H -2.110997 -1.543618 1.722607
H -1.540093 0.910193 1.959667
H -2.550725 2.391607 0.481730
H -3.943876 0.051528 2.429787
H -4.616188 -1.263500 1.470097
H -3.181351 -2.359378 -0.413659
H -1.561128 -1.718684 -0.731051
H -5.419103 0.271228 -0.092893
H -4.742320 1.601623 0.866235
H -2.470077 -0.185655 -2.227768
H -4.110331 -0.769475 -1.861287
H -0.972146 1.033984 -1.806727
H -0.245105 2.146553 -0.641931
H 1.476928 0.012858 -1.256243
H 2.626466 1.858050 0.904055
H 1.253389 2.141351 -0.197683
H 3.635807 -0.900907 -1.807498
H 4.360919 -0.370377 -0.280274
H 3.865713 3.130568 -0.625670
H 2.690431 2.902092 -1.923877
H 3.996946 1.211691 -2.827054
H 5.185031 1.431560 -1.539222
H -2.674324 2.860858 -2.430168
H -1.818949 3.978739 -1.365627
H -0.997242 3.311620 -2.782747
H 2.773667 -0.901728 2.548481
H 2.924658 -5.115668 -0.088792
H 1.578031 -4.854927 -1.221630
H 1.245018 -5.242687 0.483418


%chk=000297108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297108

0 1
O -0.291109 0.203142 0.377649
O 3.009921 -0.649302 1.717403
O 0.534258 0.022290 2.552186
N -3.504266 0.477061 -0.798507
C -2.445242 -0.647556 1.298769
C -1.649033 0.617740 0.891894
C -2.419878 1.361627 -0.252135
C -3.904313 -0.203847 1.605038
C -2.466967 -1.648537 0.109705
C -4.547895 0.303546 0.261448
C -2.960754 -0.871576 -1.162749
C -1.522594 1.962120 -1.357838
C 2.495658 0.377089 -0.447009
C 1.993249 -0.601893 0.657237
C 2.721506 1.835316 0.074738
C 3.854129 -0.050530 -1.063582
C 0.672351 -0.087909 1.306808
C 4.069707 2.314788 -0.556050
C 4.395841 1.270047 -1.658186
C -2.317254 2.875735 -2.312559
C 1.728488 -1.957960 0.120036
C 1.531900 -3.094231 -0.318727
C 1.312431 -4.454089 -0.832305
H -1.984771 -1.105600 2.190636
H -1.470096 1.270713 1.765888
H -2.949783 2.209516 0.228888
H -3.909990 0.590010 2.377239
H -4.466579 -1.061182 2.019006
H -3.149357 -2.482579 0.361461
H -1.463393 -2.077847 -0.054793
H -5.294043 -0.417496 -0.118360
H -5.064048 1.269785 0.406515
H -2.132874 -0.726811 -1.877111
H -3.757582 -1.427072 -1.689049
H -1.030831 1.151869 -1.926379
H -0.703810 2.530676 -0.874297
H 1.724268 0.382576 -1.240245
H 2.785553 1.846630 1.177313
H 1.880488 2.488184 -0.223149
H 3.744622 -0.858834 -1.807569
H 4.524190 -0.408297 -0.260256
H 4.867892 2.299189 0.209215
H 4.009874 3.344824 -0.951286
H 3.855133 1.515928 -2.593892
H 5.473737 1.223047 -1.896618
H -3.168319 2.322837 -2.745966
H -2.722787 3.756597 -1.778555
H -1.677345 3.244690 -3.134861
H 2.521643 -0.680496 2.587502
H 2.200956 -5.088515 -0.658412
H 1.113745 -4.444490 -1.919826
H 0.451070 -4.937225 -0.335200


