%chk=000225183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225183

0 1
O -1.386043 1.290926 -2.170562
O -4.849221 0.684777 0.827935
N 0.517222 0.446001 0.125248
N -2.732034 0.255616 1.619318
N -3.115560 0.983066 -0.679290
N -0.315659 -0.122261 2.184458
C -0.880869 0.576553 0.055004
C -1.368404 0.223720 1.343564
C 0.818492 0.017300 1.414687
C 2.200559 -0.229405 1.909719
C 2.922028 -1.342823 1.135099
C -1.721933 0.978721 -1.046498
C -3.655159 0.645771 0.597732
C 3.337007 -0.909169 -0.244980
C -3.232412 -0.106759 2.967302
C -4.111138 1.360162 -1.721017
C 2.676169 -1.415292 -1.374215
C 4.385499 0.009386 -0.409980
C 3.056316 -1.000391 -2.653888
C 4.762034 0.420116 -1.691035
C 4.097032 -0.080991 -2.815149
H 2.788254 0.714816 1.875891
H 2.147893 -0.505535 2.991127
H 1.144111 0.599491 -0.651879
H 2.275727 -2.245591 1.091372
H 3.818084 -1.663078 1.709913
H -4.336232 -0.027906 2.997613
H -2.803441 0.569386 3.728254
H -2.939174 -1.141981 3.217313
H -3.607217 1.903563 -2.542412
H -4.896173 2.006240 -1.289072
H -4.592077 0.458697 -2.136907
H 1.869059 -2.137793 -1.259377
H 4.911785 0.398701 0.459354
H 2.538072 -1.395550 -3.527718
H 5.577427 1.132067 -1.814730
H 4.390475 0.242149 -3.812494


%chk=000225183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225183

0 1
O -1.413434 1.074217 -2.265510
O -4.921920 0.815203 0.886129
N 0.443329 0.281418 0.106673
N -2.753894 0.336510 1.648786
N -3.161609 0.940403 -0.658030
N -0.374514 -0.117271 2.190447
C -0.938583 0.480812 0.032141
C -1.408672 0.231653 1.329904
C 0.748581 -0.077762 1.412346
C 2.132278 -0.364670 1.920186
C 2.934383 -1.420128 1.092564
C -1.782457 0.849504 -1.071723
C -3.685348 0.702969 0.646107
C 3.382385 -0.924447 -0.277961
C -3.223150 0.073753 3.022435
C -4.162419 1.318602 -1.681809
C 2.805683 -1.433143 -1.471363
C 4.385579 0.076111 -0.387332
C 3.210778 -0.949839 -2.738479
C 4.795314 0.558512 -1.649735
C 4.205917 0.049297 -2.831336
H 2.720153 0.573550 1.967740
H 2.011639 -0.719990 2.957767
H 1.096551 0.347071 -0.676659
H 2.323239 -2.335413 0.990058
H 3.823300 -1.693087 1.693190
H -4.311747 0.228232 3.036518
H -2.730176 0.762753 3.728559
H -2.980934 -0.961980 3.314320
H -3.619982 1.475075 -2.625749
H -4.685742 2.239565 -1.377219
H -4.911725 0.517873 -1.794117
H 2.040314 -2.216662 -1.409618
H 4.855381 0.472466 0.522059
H 2.749093 -1.351567 -3.646953
H 5.573202 1.327571 -1.713673
H 4.519706 0.425539 -3.810963


