%chk=000245069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245069

0 1
O 4.364148 1.577911 0.139613
N -2.886581 1.614516 0.412389
N -0.521777 -2.256587 0.079647
N 2.215750 0.502924 -1.620024
C -2.801242 -1.267972 -0.367717
C -1.880975 -2.499809 -0.494385
C -3.048110 -0.799524 1.069397
C -3.723311 0.585428 1.112754
C -2.466439 -3.742009 0.184622
C -1.599720 1.878519 1.140567
C -3.656942 2.884769 0.198760
C 0.335397 -1.297551 -0.476866
C 1.408978 -0.746688 0.344739
C -0.557482 2.416712 0.160001
C -4.685512 2.698208 -0.918350
C 0.253655 -0.916342 -1.811088
C 2.321511 0.148069 -0.278547
C 1.557802 -1.065109 1.724463
C 3.385447 0.703843 0.527808
C 1.220802 -0.018678 -2.335054
C 2.580331 -0.515655 2.464644
C 3.502720 0.373310 1.872399
C 4.462581 2.025712 -1.236372
H -2.358778 -0.420050 -0.942987
H -3.766137 -1.480059 -0.864254
H -1.742846 -2.721595 -1.589535
H -2.088921 -0.751212 1.624396
H -3.684421 -1.526673 1.607646
H -4.702976 0.530399 0.587087
H -3.944253 0.854125 2.168206
H -0.479353 -2.357109 1.096858
H -2.636749 -3.596576 1.256770
H -3.432123 -4.007172 -0.261780
H -1.802671 -4.609268 0.070525
H -1.723214 2.576566 1.995539
H -1.226098 0.919020 1.568191
H -4.156521 3.247446 1.122723
H -2.935055 3.677356 -0.104203
H -0.472027 1.760861 -0.719007
H -0.812402 3.414829 -0.210030
H 0.432514 2.469561 0.626621
H -4.213934 2.265672 -1.811469
H -5.495342 2.022106 -0.624053
H -5.132380 3.655548 -1.204093
H -0.524934 -1.293198 -2.465411
H 0.859511 -1.755818 2.192806
H 1.165189 0.281099 -3.389496
H 2.695944 -0.759986 3.520455
H 4.311349 0.802627 2.461494
H 3.566538 2.589268 -1.514780
H 5.350379 2.666328 -1.188207
H 4.611682 1.171909 -1.904614


%chk=000245069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245069

0 1
O 4.926325 1.114961 -0.056972
N -3.283317 1.745482 0.508471
N -0.510421 -1.966148 0.193514
N 2.441868 0.571793 -1.570225
C -2.850950 -1.162377 -0.306817
C -1.816394 -2.321681 -0.403217
C -3.186432 -0.708614 1.129136
C -3.997102 0.610862 1.150180
C -2.316819 -3.623351 0.257990
C -2.202199 2.307124 1.365984
C -4.209538 2.792175 -0.002443
C 0.434846 -1.130398 -0.373928
C 1.672868 -0.836927 0.346866
C -1.084051 2.989641 0.554661
C -4.912367 2.390245 -1.313675
C 0.257713 -0.543803 -1.646698
C 2.648173 0.017959 -0.309889
C 1.934223 -1.347100 1.654655
C 3.882067 0.310554 0.393881
C 1.278421 0.282108 -2.184313
C 3.131323 -1.031861 2.309386
C 4.100445 -0.211786 1.683031
C 5.072655 1.579903 -1.448712
H -2.473648 -0.274910 -0.847723
H -3.776865 -1.485430 -0.826884
H -1.647955 -2.533189 -1.480258
H -2.243877 -0.573516 1.696116
H -3.774691 -1.479559 1.666619
H -4.942882 0.447337 0.599611
H -4.282330 0.850290 2.206846
H -0.305446 -2.371163 1.105528
H -2.446361 -3.498629 1.349959
H -3.296030 -3.911825 -0.161747
H -1.608779 -4.453599 0.084907
H -2.617290 3.021530 2.122470
H -1.754916 1.474515 1.938708
H -4.974669 3.069036 0.767883
H -3.614273 3.703965 -0.190896
H -0.625948 2.267760 -0.143725
H -1.462957 3.843893 -0.035795
H -0.296284 3.373094 1.229780
H -4.161357 2.166199 -2.091306
H -5.547783 1.494967 -1.185972
H -5.561018 3.211550 -1.672076
H -0.649146 -0.711254 -2.231384
H 1.210345 -1.982998 2.177221
H 1.133987 0.731514 -3.174945
H 3.327827 -1.422055 3.313819
H 5.042023 0.037271 2.181224
H 4.284223 2.299550 -1.713300
H 6.070134 2.050115 -1.459379
H 5.027629 0.736781 -2.157368


