%chk=000232648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232648

0 1
O 0.205964 0.554018 -0.731708
N -4.038800 -0.563111 0.079419
N 4.201619 -0.253896 0.024303
N -1.172068 1.865138 0.597659
N 1.186659 1.764990 0.978886
C -2.758985 -0.086836 0.693809
C 2.931260 0.015709 0.768662
C -2.386587 1.246882 0.007975
C 2.555877 1.484470 0.463173
C -3.772737 -1.291198 -1.208283
C -4.827774 -1.412047 1.032682
C 5.292193 -0.713126 0.947240
C 3.994920 -1.218002 -1.108156
C 0.085894 1.329235 0.207426
C -5.040304 -1.312362 -2.063282
C -5.461587 -0.537338 2.115791
C 6.657006 -0.518698 0.283618
C 3.066256 -0.625224 -2.166405
H -1.921862 -0.811716 0.593439
H -2.904531 0.077061 1.782457
H 3.033019 -0.131027 1.861783
H 2.098238 -0.650483 0.445634
H -2.212674 1.082561 -1.082734
H -3.222281 1.976300 0.094573
H 2.610090 1.660221 -0.637706
H 3.275975 2.178685 0.941417
H -3.397656 -2.324894 -1.049040
H -2.969737 -0.749464 -1.760067
H -4.220574 -2.218867 1.496294
H -5.636408 -1.915453 0.454886
H 5.170645 -1.771094 1.265672
H 5.249210 -0.093277 1.870710
H 3.599412 -2.198513 -0.763523
H 4.991146 -1.415735 -1.564796
H -1.287825 2.192494 1.554339
H 1.099475 2.585973 1.568807
H -5.822570 -1.941683 -1.624823
H -5.461291 -0.302347 -2.162254
H -4.828066 -1.688788 -3.069095
H -4.713032 -0.114141 2.794093
H -6.001378 0.307603 1.666117
H -6.174646 -1.110888 2.716221
H 6.808168 -1.208986 -0.553971
H 6.752213 0.498256 -0.121484
H 7.468924 -0.674920 1.000285
H 2.055297 -0.424064 -1.771148
H 3.450768 0.330047 -2.543118
H 2.955243 -1.303968 -3.016874


%chk=000232648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232648

0 1
O 0.041120 0.656184 -0.785636
N -4.076244 -0.600771 0.178746
N 4.248137 -0.312553 -0.043745
N -1.156276 1.727031 0.914959
N 1.205168 1.799733 0.888836
C -2.895435 -0.098058 0.922638
C 2.991811 0.034065 0.667682
C -2.453754 1.286038 0.380951
C 2.515573 1.465515 0.303698
C -3.690768 -1.275863 -1.093580
C -5.008095 -1.409238 1.006808
C 5.401064 -0.588095 0.851131
C 4.059018 -1.329938 -1.110419
C 0.031159 1.352053 0.283244
C -4.787868 -1.194321 -2.171942
C -5.846586 -0.554007 1.976019
C 6.768081 -0.373510 0.170550
C 3.153841 -0.843931 -2.259704
H -2.026855 -0.795398 0.854770
H -3.152700 -0.004728 1.994274
H 3.132601 -0.037775 1.766002
H 2.176972 -0.670174 0.403201
H -2.358062 1.230816 -0.716402
H -3.226079 2.039858 0.615905
H 2.440119 1.537611 -0.793557
H 3.260322 2.208539 0.641625
H -3.415699 -2.345574 -0.911517
H -2.775963 -0.786141 -1.474789
H -4.465319 -2.206074 1.577523
H -5.696777 -1.933232 0.318959
H 5.359130 -1.624086 1.278777
H 5.328060 0.108536 1.707751
H 3.639407 -2.279988 -0.687050
H 5.053548 -1.578593 -1.523573
H -1.135440 2.267939 1.779373
H 1.169318 2.343776 1.750657
H -5.722923 -1.688563 -1.849962
H -5.021760 -0.138794 -2.395394
H -4.451162 -1.687968 -3.102856
H -5.212177 -0.011215 2.700713
H -6.433184 0.191839 1.411729
H -6.542128 -1.191678 2.553503
H 6.938344 -1.087322 -0.654911
H 6.827963 0.648322 -0.243567
H 7.586228 -0.510640 0.902372
H 2.136837 -0.587491 -1.911761
H 3.590455 0.051763 -2.737228
H 3.059076 -1.636399 -3.025899


