%chk=000224731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224731

0 1
O 5.561006 1.147404 -0.236910
N -4.819565 0.318585 -0.546802
N -0.410544 -0.570035 0.312801
N 3.796570 -1.238023 0.008764
C -2.420832 0.446721 1.318777
C -0.919517 0.159798 1.521958
C -2.676659 1.416599 0.160456
C -4.179549 1.605207 -0.110392
C -0.697745 -0.643368 2.813188
C 1.000518 -0.805492 0.249168
C -4.335231 -0.090196 -1.908540
C -6.316969 0.431800 -0.515388
C 1.893696 0.324432 0.060832
C 1.527896 -2.092100 0.266085
C 3.292102 0.056977 -0.024396
C -4.648461 -1.566174 -2.159265
C -6.817452 0.389280 0.929730
C 1.428239 1.661643 -0.075694
C 2.947543 -2.248538 0.126597
C 0.689633 -3.315663 0.429704
C 4.194455 1.173537 -0.174683
C 2.315221 2.703028 -0.237781
C 3.705762 2.471401 -0.275051
C 6.289455 -0.103946 -0.164213
H -2.844641 0.855826 2.255382
H -2.982686 -0.493667 1.133060
H -0.359277 1.129376 1.599285
H -2.171761 1.039130 -0.756179
H -2.221619 2.401426 0.375555
H -4.320383 2.424660 -0.848276
H -4.681789 1.934448 0.826848
H -0.958532 -1.422573 0.147889
H -1.276318 -1.572190 2.830139
H 0.358766 -0.908913 2.942531
H -0.992267 -0.062808 3.694554
H -3.228261 0.054675 -1.936159
H -4.757717 0.535518 -2.723359
H -6.742603 -0.434886 -1.070414
H -6.691400 1.346390 -1.023547
H -4.305806 -2.185333 -1.319664
H -5.724093 -1.744940 -2.269104
H -4.152879 -1.922991 -3.067604
H -6.391439 -0.471031 1.463561
H -6.531432 1.286248 1.490116
H -7.907794 0.302791 0.965544
H 0.353814 1.848972 -0.072819
H 3.380409 -3.257181 0.130608
H -0.006238 -3.226403 1.276308
H 0.098653 -3.518244 -0.476105
H 1.295267 -4.213291 0.617147
H 1.954107 3.726231 -0.344171
H 4.402123 3.299676 -0.390830
H 6.021141 -0.747221 -1.008222
H 7.325093 0.248186 -0.233507
H 6.092390 -0.603361 0.789192


%chk=000224731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224731

0 1
O 5.469598 0.848425 -0.565355
N -4.592882 0.288082 -0.616384
N -0.561105 -0.436069 0.625881
N 3.512588 -1.337165 -0.342496
C -2.465512 0.829980 1.558777
C -0.987857 0.425078 1.771948
C -2.708094 1.694099 0.302988
C -4.180173 1.647924 -0.170200
C -0.789671 -0.312238 3.120138
C 0.771401 -0.702823 0.267983
C -4.084604 -0.040752 -1.977617
C -6.058238 0.058309 -0.486700
C 1.734114 0.366292 0.045413
C 1.183748 -2.042567 0.043353
C 3.118038 -0.014213 -0.194414
C -3.928551 -1.555696 -2.211999
C -6.506128 -0.187086 0.967066
C 1.358278 1.744126 -0.032606
C 2.554132 -2.279016 -0.267214
C 0.222964 -3.208243 0.171288
C 4.103743 1.036860 -0.353862
C 2.327918 2.727678 -0.257044
C 3.698034 2.382288 -0.383378
C 6.177558 -0.370238 -0.129402
H -2.820572 1.358622 2.465572
H -3.078734 -0.090819 1.463636
H -0.350547 1.324866 1.779756
H -2.045423 1.333482 -0.507355
H -2.429603 2.749986 0.498104
H -4.338063 2.406540 -0.977660
H -4.833150 1.944777 0.672058
H -1.188851 -1.240469 0.519100
H -1.446969 -1.201154 3.184051
H 0.258068 -0.643135 3.236045
H -1.036677 0.353168 3.968241
H -3.093596 0.433781 -2.094246
H -4.740120 0.399556 -2.771496
H -6.312884 -0.835188 -1.085640
H -6.642800 0.907598 -0.924660
H -3.232018 -1.985010 -1.469277
H -4.890995 -2.091397 -2.121805
H -3.529088 -1.751536 -3.224585
H -5.970695 -1.056607 1.387278
H -6.303357 0.683813 1.616698
H -7.593286 -0.387009 1.007520
H 0.302896 2.022786 0.013856
H 2.886096 -3.314297 -0.424449
H -0.231326 -3.263712 1.181065
H -0.607010 -3.152611 -0.563156
H 0.746804 -4.162572 -0.008458
H 2.031480 3.779043 -0.340931
H 4.466797 3.146283 -0.533053
H 5.947589 -1.217518 -0.790907
H 7.242845 -0.090154 -0.178052
H 5.896291 -0.642751 0.903289


