%chk=000230587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230587

0 1
O -2.841973 0.588266 0.073167
O 1.142486 3.284029 0.606529
O 2.895036 2.148538 -0.178481
N -1.186558 -1.070482 -0.006320
C 1.174664 -0.344695 0.008472
C 0.174473 -1.364570 -0.027356
C 0.729363 1.021793 0.081334
C -0.607864 1.321518 0.103300
C -1.537361 0.218301 0.053169
C 2.545579 -0.739217 -0.031001
C 0.557278 -2.742383 -0.090129
C 2.890676 -2.067391 -0.092542
C 1.887504 -3.078125 -0.120422
C -3.856130 -0.490373 0.028293
C 1.725670 2.130841 0.128266
C -5.156863 0.280659 0.067460
H -0.991755 2.342623 0.165958
H 3.320431 0.036042 -0.020848
H -0.230706 -3.496416 -0.113225
H 3.937726 -2.366800 -0.123172
H 2.196371 -4.122891 -0.167982
H -3.703037 -1.059822 -0.904184
H -3.696817 -1.141045 0.904928
H -6.018931 -0.396881 0.040265
H -5.235899 0.892279 0.977344
H -5.242322 0.971125 -0.783473
H 1.787460 4.043876 0.644748


%chk=000230587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230587

0 1
O -2.851882 0.642059 0.099569
O 1.116119 3.428449 0.307698
O 3.015014 2.118249 0.202679
N -1.178497 -1.024358 -0.020556
C 1.223822 -0.333857 0.030562
C 0.176095 -1.338938 -0.041686
C 0.789900 1.050844 0.128972
C -0.576528 1.342678 0.148692
C -1.518585 0.265822 0.071487
C 2.588147 -0.768233 0.001496
C 0.526379 -2.721101 -0.139285
C 2.899948 -2.129282 -0.093946
C 1.867376 -3.112624 -0.164887
C -3.862107 -0.451420 0.023928
C 1.761151 2.183689 0.211417
C -5.229433 0.220759 0.093165
H -0.934586 2.370082 0.222182
H 3.381481 -0.019916 0.054917
H -0.290843 -3.446603 -0.191974
H 3.949356 -2.442696 -0.114566
H 2.128646 -4.173927 -0.239712
H -3.707923 -1.007709 -0.918857
H -3.687755 -1.150658 0.862124
H -6.025376 -0.544401 0.042052
H -5.345568 0.781152 1.036670
H -5.367160 0.922753 -0.747052
H 1.811309 4.137986 0.359010


