%chk=000233419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233419

0 1
O 0.327873 -2.441643 -1.171927
O 0.199311 -2.707086 1.047999
N -1.428769 2.061645 -0.042017
C 0.420866 0.471451 0.000543
C -0.461110 -0.583325 0.030934
C -1.877219 -0.358963 0.027853
C -0.121047 1.821823 -0.033473
C -2.320763 0.993574 -0.012860
C 1.886006 0.273014 0.004271
C -2.849904 -1.403613 0.064500
C -3.723600 1.283522 -0.022938
C 0.806585 2.990619 -0.060216
C 2.587691 0.223702 -1.209592
C 2.570265 0.139338 1.221571
C 0.042637 -1.986346 0.093244
C -4.189572 -1.101117 0.055244
C -4.630070 0.254285 0.009717
C 3.973474 0.044989 -1.201205
C 3.956229 -0.039194 1.220378
C 4.658505 -0.084637 0.011539
H -2.514255 -2.440381 0.104520
H -4.033907 2.329565 -0.056069
H 0.262440 3.949566 -0.071951
H 1.465898 2.996771 0.821023
H 1.451791 2.967693 -0.951430
H 2.050254 0.314420 -2.153014
H 2.021240 0.166342 2.162527
H -4.938048 -1.892798 0.084068
H -5.701533 0.455924 0.002695
H 4.520157 0.004299 -2.142303
H 4.488940 -0.146713 2.164489
H 5.738317 -0.224148 0.014500
H 0.688715 -3.370777 -1.170718


%chk=000233419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233419

0 1
O 0.824932 -2.351055 -0.969116
O -0.275085 -2.845064 1.011070
N -1.463423 2.063575 -0.192248
C 0.408407 0.470990 -0.111247
C -0.491117 -0.603212 0.023786
C -1.913941 -0.366390 0.076825
C -0.138702 1.815740 -0.209575
C -2.351739 1.006423 -0.056502
C 1.890432 0.264003 -0.064320
C -2.901656 -1.394164 0.227307
C -3.749770 1.308752 -0.043470
C 0.765809 3.027545 -0.306846
C 2.713329 0.553316 -1.183278
C 2.496212 -0.229520 1.121947
C 0.009702 -2.015296 0.115834
C -4.260984 -1.070278 0.236262
C -4.690957 0.287234 0.099058
C 4.108438 0.350756 -1.119823
C 3.893736 -0.427292 1.187359
C 4.705170 -0.137545 0.066894
H -2.585944 -2.433572 0.355590
H -4.039407 2.358672 -0.147343
H 0.153658 3.934715 -0.191768
H 1.553082 3.009179 0.467898
H 1.282307 3.075521 -1.283049
H 2.256077 0.906812 -2.114138
H 1.871650 -0.447316 1.996375
H -5.006951 -1.863529 0.355623
H -5.761085 0.520932 0.108959
H 4.728918 0.567641 -1.996514
H 4.345951 -0.803777 2.111637
H 5.788979 -0.290537 0.116207
H 1.161371 -3.281459 -0.847492


