%chk=000236388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236388

0 1
O 0.162791 0.457991 -1.916225
N -0.307467 -0.806020 0.062456
C -2.786865 -0.379676 0.298870
C -1.650952 -1.388822 -0.000303
C -3.087634 0.495083 -0.932714
C -4.057618 -1.136162 0.736290
C 1.213410 0.636242 0.417146
C 0.410424 -0.360844 1.309018
C -4.227164 1.479902 -0.641183
C -5.203171 -0.156685 1.029416
C -5.493052 0.744214 -0.179389
C 0.309156 0.166500 -0.764964
C 2.676174 0.368706 0.280120
C 3.600783 1.342110 0.689546
C 3.137974 -0.848719 -0.245658
C 4.972109 1.096956 0.574873
C 4.509415 -1.086865 -0.359212
C 5.429169 -0.116185 0.051529
H -2.468915 0.285231 1.137775
H -1.780542 -1.827585 -1.017869
H -1.687636 -2.238837 0.717835
H -3.357454 -0.144014 -1.795544
H -2.179312 1.044391 -1.247760
H -3.850755 -1.747437 1.633497
H -4.367343 -1.843320 -0.056715
H 1.011942 1.698814 0.662227
H 0.998504 -1.175663 1.761155
H -0.222734 0.104477 2.077173
H -4.446495 2.075890 -1.547032
H -3.910608 2.205359 0.131938
H -4.948185 0.466967 1.907500
H -6.114253 -0.718839 1.307082
H -6.283428 1.474257 0.074638
H -5.894053 0.134678 -1.011918
H 3.255813 2.291562 1.093971
H 2.424970 -1.606531 -0.571850
H 5.685623 1.855761 0.892313
H 4.862483 -2.030747 -0.772203
H 6.497099 -0.303741 -0.039331


%chk=000236388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236388

0 1
O 0.452356 -0.065387 -2.264797
N -0.395956 -0.420700 -0.024863
C -2.891164 -0.409702 0.372556
C -1.632600 -1.195988 -0.078655
C -3.151618 0.831207 -0.516934
C -4.129557 -1.342280 0.380475
C 1.368950 0.778001 0.048327
C 0.366311 0.175657 1.112736
C -4.426409 1.589417 -0.076935
C -5.409851 -0.590377 0.817329
C -5.660391 0.656183 -0.065254
C 0.459418 0.058045 -1.021497
C 2.826011 0.379259 0.128451
C 3.840323 1.367301 0.186703
C 3.207125 -0.988894 0.147123
C 5.203289 1.002480 0.269528
C 4.566255 -1.356677 0.231125
C 5.570855 -0.361652 0.294753
H -2.726805 -0.059561 1.416530
H -1.752239 -1.523321 -1.129838
H -1.525369 -2.108299 0.544878
H -3.265270 0.498894 -1.570250
H -2.275221 1.507743 -0.494855
H -3.949845 -2.208091 1.049492
H -4.277453 -1.751347 -0.641575
H 1.273725 1.874817 -0.033922
H 0.816904 -0.572494 1.788358
H -0.200402 0.922525 1.697016
H -4.603972 2.451018 -0.749171
H -4.273983 2.004204 0.941592
H -5.303183 -0.272139 1.875404
H -6.281511 -1.272041 0.775265
H -6.553467 1.204388 0.292513
H -5.878074 0.329296 -1.103239
H 3.561417 2.428240 0.163052
H 2.436131 -1.767025 0.077600
H 5.974805 1.779569 0.311804
H 4.845859 -2.416340 0.238973
H 6.626811 -0.647529 0.356703


