%chk=000206507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206507

0 1
O -5.210732 -0.078996 -0.005515
O -4.305618 2.112705 -0.004398
O 0.765708 2.457227 0.007142
N 0.321372 0.213222 0.007058
C -0.521646 -1.933050 0.006088
C 0.636297 -1.174445 0.008414
C -0.225241 -3.390788 0.007359
C 1.884597 -1.985000 0.011552
C 1.336100 -3.446881 0.010944
C -1.652877 -1.047906 0.003062
C -1.116959 0.287883 0.003698
C -3.047080 -1.279920 -0.000021
C -1.926243 1.446955 0.001340
C 1.209261 1.330949 0.008638
C -3.820621 -0.145694 -0.002302
C -3.274078 1.183538 -0.001636
C 2.667380 0.996451 0.012142
C -5.551919 1.343570 -0.006917
C 3.349952 0.869195 -1.204030
C 3.344254 0.870163 1.231606
C 4.722535 0.604739 -1.195777
C 4.716857 0.605718 1.229987
C 5.404337 0.472418 0.018758
H -0.649515 -3.896066 0.893105
H -0.645490 -3.896801 -0.879868
H 2.516772 -1.787604 -0.872997
H 2.512849 -1.786859 0.898716
H 1.697911 -3.991295 0.896936
H 1.701962 -3.992089 -0.872883
H -3.459233 -2.283031 -0.000528
H -1.501735 2.451743 0.001869
H -6.080823 1.563548 -0.943608
H -6.085104 1.564372 0.927150
H 2.816419 0.981173 -2.148611
H 2.806304 0.982896 2.173585
H 5.261747 0.507518 -2.137587
H 5.251654 0.509246 2.174387
H 6.475247 0.269297 0.021344


%chk=000206507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206507

0 1
O -5.275115 -0.051321 -0.002152
O -4.334357 2.160029 -0.004295
O 0.784648 2.452420 0.002376
N 0.318183 0.164806 0.003954
C -0.533992 -1.969984 0.005931
C 0.628554 -1.232686 0.006407
C -0.266454 -3.452809 0.008075
C 1.888656 -2.059225 0.008718
C 1.312080 -3.530422 0.010084
C -1.665312 -1.061254 0.003267
C -1.119104 0.272824 0.001977
C -3.072708 -1.271824 0.001986
C -1.927618 1.436824 -0.000610
C 1.206981 1.260566 0.003917
C -3.857135 -0.118569 -0.000499
C -3.302133 1.185005 -0.001737
C 2.687028 0.958333 0.010046
C -5.608605 1.397206 -0.004638
C 3.398364 0.873338 -1.211885
C 3.387657 0.872650 1.238113
C 4.798967 0.688016 -1.204400
C 4.788275 0.687400 1.242789
C 5.496642 0.591297 0.022240
H -0.697475 -3.954656 0.895852
H -0.695321 -3.956821 -0.879521
H 2.525508 -1.870220 -0.875248
H 2.523936 -1.867933 0.893315
H 1.670172 -4.078220 0.898698
H 1.672323 -4.080731 -0.876106
H -3.513455 -2.271040 0.002937
H -1.507206 2.441019 -0.001708
H -6.169783 1.634759 -0.925357
H -6.171886 1.637431 0.914102
H 2.860866 0.961503 -2.162703
H 2.841867 0.960170 2.184252
H 5.343695 0.625342 -2.152803
H 5.324706 0.624225 2.195877
H 6.583152 0.450656 0.026953


