%chk=000267058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267058

0 1
O 1.942812 -3.702317 -0.576433
O -2.603690 -4.369826 -0.383121
N 1.254280 -2.453363 1.248603
N -1.009345 -2.872118 -1.175964
N 1.749570 -1.301128 0.704551
N -1.731036 -1.776230 -0.798090
N 4.075060 5.613238 -1.404210
N -4.710639 4.994642 0.960004
C 0.134628 -5.844889 0.059422
C 0.564176 -4.795950 1.096350
C -0.510701 -5.262855 -1.205768
C 1.338747 -3.654625 0.468876
C -1.517513 -4.177862 -0.868742
C 2.195143 1.047852 0.751596
C -2.008345 0.594238 -0.580211
C 1.663436 -0.182699 1.373156
C -1.230802 -0.586351 -1.004936
C 1.708413 2.291067 1.196567
C -1.354077 1.838895 -0.512265
C 3.171707 1.000300 -0.257883
C -3.371764 0.504577 -0.248819
C 2.192505 3.473410 0.639033
C -2.052681 2.978440 -0.117579
C 3.659157 2.180882 -0.818801
C -4.074644 1.641709 0.148295
C 3.169716 3.418683 -0.370030
C -3.414853 2.880251 0.215275
C 3.670654 4.633556 -0.942373
C -4.132701 4.050398 0.625994
H 1.016879 -6.447503 -0.245768
H -0.574019 -6.548164 0.547091
H 1.194941 -5.283341 1.871910
H -0.339709 -4.431147 1.633379
H 0.287689 -4.910279 -1.896605
H -1.040595 -6.068919 -1.759733
H 0.768228 -2.452232 2.154003
H -0.078620 -2.774958 -1.619571
H 1.219881 -0.051059 2.371254
H -0.255580 -0.366696 -1.468739
H 0.949135 2.336225 1.978077
H -0.296118 1.917670 -0.767834
H 3.548765 0.033002 -0.604405
H -3.880179 -0.463783 -0.301538
H 1.818357 4.438279 0.985450
H -1.547477 3.943800 -0.070447
H 4.418867 2.143255 -1.601785
H -5.132958 1.570224 0.404660


%chk=000267058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267058

0 1
O 1.911553 -3.715912 -0.757355
O -2.668586 -4.549669 -0.065518
N 1.245186 -2.428493 1.084818
N -1.232122 -3.056741 -1.184078
N 1.777296 -1.260814 0.578545
N -1.911915 -1.924372 -0.789396
N 4.077386 5.932515 -0.978663
N -4.328494 5.220307 0.834440
C 0.186602 -5.925405 0.090891
C 0.643899 -4.808354 1.062490
C -0.635433 -5.431479 -1.140848
C 1.337512 -3.636101 0.361666
C -1.636769 -4.341943 -0.752955
C 2.165630 1.115644 0.797438
C -2.034629 0.491163 -0.712957
C 1.635775 -0.160644 1.289861
C -1.385963 -0.760274 -1.118439
C 1.944634 2.301461 1.551469
C -1.393531 1.730576 -0.992776
C 2.895773 1.197635 -0.424888
C -3.287837 0.498173 -0.031912
C 2.432046 3.541541 1.101458
C -1.978665 2.948058 -0.601979
C 3.385039 2.431092 -0.879277
C -3.877231 1.709104 0.359630
C 3.156545 3.617578 -0.120308
C -3.226963 2.948267 0.080388
C 3.658984 4.882180 -0.587283
C -3.828543 4.189157 0.489716
H 1.068016 -6.470828 -0.289764
H -0.423784 -6.638222 0.673758
H 1.348013 -5.243722 1.799750
H -0.228727 -4.438141 1.636161
H 0.061674 -5.074268 -1.918439
H -1.203850 -6.283384 -1.552514
H 0.730637 -2.427747 1.979797
H -0.345474 -2.979438 -1.709511
H 1.111359 -0.144062 2.266564
H -0.438908 -0.673766 -1.687721
H 1.383594 2.251354 2.492030
H -0.429571 1.737799 -1.515517
H 3.073224 0.279219 -0.992777
H -3.776208 -0.458901 0.175115
H 2.258381 4.451032 1.684439
H -1.480594 3.897990 -0.818848
H 3.949945 2.493192 -1.814620
H -4.840206 1.713943 0.879816


