%chk=000232955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232955

0 1
O 6.076077 0.319320 0.358440
O -5.922772 -0.099436 0.146742
O 4.792031 -2.008668 -0.181301
O -4.204588 -2.490751 0.221453
O 4.446812 2.697811 0.825772
O -4.518875 2.433023 -0.146952
N 0.458811 0.144187 0.655479
N -0.306846 0.179267 -0.320689
C 4.690960 0.278519 0.305396
C -4.534995 -0.026420 0.059275
C 1.889895 0.205509 0.428354
C -1.736539 0.106834 -0.094152
C 3.982868 -0.936025 0.094188
C -3.757882 -1.204969 0.110010
C 3.954861 1.448789 0.579531
C -3.877132 1.212535 -0.122580
C 2.586680 -0.981985 0.142310
C -2.350650 -1.139990 0.041914
C 2.543011 1.416112 0.642591
C -2.480682 1.292431 -0.187136
C 6.729497 -0.055398 -0.886527
C -6.422633 0.361090 1.438078
C 4.158804 -3.296870 -0.396383
C -5.635559 -2.739932 0.214218
C 5.886666 2.893830 0.831756
C -5.662646 2.543954 -1.039034
H 2.040942 -1.903378 -0.026148
H -1.774536 -2.061381 0.100032
H 2.002442 2.334578 0.864446
H -2.001252 2.261538 -0.312975
H 7.784749 0.107211 -0.645909
H 6.531539 -1.112532 -1.101828
H 6.393932 0.586353 -1.702899
H -6.035328 -0.275352 2.237306
H -6.137607 1.406534 1.598156
H -7.504702 0.251362 1.320808
H 3.514547 -3.260470 -1.279397
H 3.610355 -3.603829 0.499324
H 5.029333 -3.943981 -0.564521
H -5.669292 -3.830082 0.104515
H -6.065896 -2.412172 1.163899
H -6.113738 -2.228563 -0.629033
H 6.282585 2.747530 -0.176427
H 6.361133 2.204567 1.540960
H 5.965217 3.936958 1.158010
H -5.293123 2.582139 -2.068068
H -6.097289 3.501895 -0.733475
H -6.365984 1.714611 -0.901428


%chk=000232955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232955

0 1
O 6.098820 0.232288 0.115828
O -5.906613 0.163473 0.477545
O 4.488867 0.032645 -2.176064
O -4.168014 0.369323 2.754255
O 4.892368 0.356307 2.679467
O -4.717163 -0.163684 -2.142456
N 0.479130 0.120045 0.803138
N -0.282357 0.046911 -0.261707
C 4.701717 0.208853 0.209726
C -4.506648 0.080671 0.311358
C 1.880855 0.135485 0.529017
C -1.687059 0.046663 0.012838
C 3.836653 0.109158 -0.933006
C -3.658343 0.161361 1.460204
C 4.121895 0.220024 1.511824
C -3.918928 -0.082741 -0.976719
C 2.441627 0.084417 -0.778694
C -2.260458 0.148068 1.309815
C 2.720530 0.189164 1.665519
C -2.521050 -0.082245 -1.127189
C 6.714893 1.265403 -0.749482
C -6.514448 1.382943 -0.116392
C 3.643561 -0.112530 -3.366219
C -5.155223 -0.615523 3.249945
C 5.933710 -0.667331 2.918875
C -5.618019 -1.338764 -2.201012
H 1.753523 0.017964 -1.625150
H -1.616363 0.237260 2.188164
H 2.283637 0.224165 2.666645
H -2.076722 -0.183107 -2.120880
H 7.798504 1.147151 -0.598322
H 6.444842 1.099263 -1.804108
H 6.394763 2.272052 -0.422167
H -6.119022 2.281525 0.390749
H -6.303986 1.430125 -1.199482
H -7.595700 1.289186 0.066067
H 2.979686 0.763399 -3.496314
H 3.034291 -1.034390 -3.309252
H 4.346218 -0.179516 -4.209719
H -5.432399 -0.259602 4.253787
H -6.039502 -0.653346 2.592413
H -4.687520 -1.616391 3.323354
H 6.665949 -0.683910 2.095230
H 5.466137 -1.664230 3.036312
H 6.414955 -0.367465 3.862189
H -5.023711 -2.272025 -2.207745
H -6.166631 -1.237255 -3.149703
H -6.318051 -1.344932 -1.346382


