%chk=000191268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191268

0 1
O -1.192122 -1.236597 -0.204921
O 0.079213 0.712772 1.672694
O -1.669944 2.919299 -1.980980
O -1.400234 -3.183575 0.915115
N -0.512386 1.870072 -0.257381
N 3.709133 1.689842 0.093316
C -3.041972 -0.182663 1.129004
C -3.875921 0.941012 -0.682697
C -2.292985 1.176515 1.168708
C -2.880320 1.959624 -0.059443
C -4.441304 0.282489 0.615726
C -2.629434 -1.056877 -0.093776
C -3.090259 -0.235774 -1.321999
C -0.784494 1.151255 0.952884
C -1.685879 2.328868 -0.929610
C 0.863013 2.066497 -0.783599
C 1.620430 3.107204 0.052405
C -0.671869 -2.410467 0.333774
C 3.134430 3.047670 -0.199893
C 0.769796 -2.552329 0.042889
C 1.308225 -3.853060 0.060309
C 1.591397 -1.454173 -0.235640
C 3.448384 1.263624 1.500129
C 5.181227 1.708364 -0.173670
C 2.660454 -4.045169 -0.219274
C 2.947312 -1.654445 -0.514907
C 3.479614 -2.945386 -0.509919
H -3.014308 -0.724252 2.083985
H -4.611242 1.401469 -1.354250
H -2.503512 1.690844 2.131667
H -3.409721 2.886114 0.245342
H -5.142242 -0.540693 0.425697
H -4.952702 0.982284 1.287552
H -3.103149 -2.061773 -0.038848
H -3.729658 -0.831930 -1.991512
H -2.233598 0.090278 -1.937122
H 1.392796 1.076195 -0.750610
H 0.799279 2.378290 -1.850002
H 1.250969 4.124803 -0.179729
H 1.412109 2.949204 1.131669
H 3.338395 3.258431 -1.274204
H 3.625644 3.857194 0.383684
H 0.661964 -4.701603 0.296599
H 1.179887 -0.433980 -0.224835
H 2.357727 1.110569 1.633594
H 3.795687 1.964970 2.270421
H 3.921640 0.286305 1.681625
H 5.754220 2.419588 0.439077
H 5.352980 1.946735 -1.235064
H 5.591188 0.701428 0.003058
H 3.080547 -5.049430 -0.209563
H 3.580670 -0.789508 -0.731156
H 4.535426 -3.100522 -0.730015


%chk=000191268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191268

0 1
O -1.202519 -1.255052 -0.488393
O 0.010290 0.549286 1.809406
O -1.607945 3.161360 -1.733603
O -1.449230 -3.151440 0.848652
N -0.524501 1.890137 -0.060796
N 3.750177 1.797834 0.105162
C -3.117426 -0.319272 0.938992
C -3.904169 1.047757 -0.734716
C -2.369062 1.034456 1.184777
C -2.904058 1.965648 0.044847
C -4.499914 0.227002 0.454737
C -2.663479 -1.023057 -0.373632
C -3.121814 -0.054377 -1.507876
C -0.844784 1.075531 1.055193
C -1.659193 2.430501 -0.712453
C 0.860944 2.119806 -0.507309
C 1.616479 3.125331 0.389223
C -0.709636 -2.397380 0.168574
C 3.125534 3.143342 0.060010
C 0.748484 -2.594394 -0.058089
C 1.389036 -3.662476 0.622930
C 1.498394 -1.754707 -0.920732
C 3.674711 1.156364 1.437874
C 5.131779 1.826053 -0.415980
C 2.769224 -3.884610 0.444452
C 2.880162 -1.977027 -1.093263
C 3.517590 -3.041221 -0.412350
H -3.115340 -0.991310 1.808380
H -4.615975 1.610283 -1.356369
H -2.632126 1.394424 2.195409
H -3.434492 2.856029 0.427334
H -5.194359 -0.568442 0.129992
H -5.003627 0.851658 1.213332
H -3.157087 -2.009882 -0.424936
H -3.779112 -0.568663 -2.229559
H -2.259906 0.341876 -2.070262
H 1.402731 1.159821 -0.489621
H 0.807636 2.486008 -1.547932
H 1.209570 4.144630 0.249187
H 1.462365 2.853067 1.448689
H 3.272201 3.541269 -0.963849
H 3.632909 3.856821 0.761937
H 0.790082 -4.298256 1.283134
H 0.992371 -0.942256 -1.448664
H 2.624771 0.993810 1.734210
H 4.184174 1.754543 2.235882
H 4.158502 0.164621 1.388603
H 5.827486 2.448329 0.203843
H 5.137807 2.232412 -1.443871
H 5.537088 0.798528 -0.448381
H 3.262575 -4.708610 0.971195
H 3.457849 -1.316627 -1.748526
H 4.591335 -3.213876 -0.548491


