%chk=000238558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238558

0 1
O 1.291672 -2.428087 0.000299
N -0.807916 -1.670464 0.583085
N 0.999403 -0.129847 0.233370
C -1.795116 -0.627299 0.383414
C -2.122168 -0.112829 -0.893364
C -3.738449 1.380481 0.165978
C -3.092171 0.893565 -0.980750
C -2.440433 -0.143988 1.532590
C -3.406776 0.854946 1.424540
C -1.441582 -0.603114 -2.126626
C 0.558384 -1.476840 0.221485
C -1.333193 -3.056233 0.440277
C -4.774709 2.447981 0.035778
C 2.353167 0.291308 0.047793
C 2.609943 1.675310 0.161825
C 3.395920 -0.601855 -0.254083
C 3.908421 2.146916 -0.031733
C 4.685794 -0.105566 -0.442592
C 4.949723 1.264020 -0.334475
H -3.352419 1.302620 -1.956008
H -2.180546 -0.555917 2.509595
H -3.903545 1.223640 2.319747
H -1.979791 -0.329714 -3.044016
H -0.426732 -0.181115 -2.214298
H -1.331045 -1.697539 -2.137526
H -1.774729 -3.244775 -0.550522
H -2.101399 -3.223230 1.213086
H -0.513981 -3.784820 0.598443
H -5.656367 2.078260 -0.509051
H -5.129966 2.818779 1.006239
H -4.392726 3.316823 -0.519398
H 0.333032 0.603602 0.493501
H 1.811854 2.373229 0.398092
H 3.200186 -1.676681 -0.336302
H 4.109864 3.214179 0.055430
H 5.495240 -0.797586 -0.676033
H 5.958456 1.639340 -0.483289


%chk=000238558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238558

0 1
O 1.366557 -2.613634 0.189759
N -0.821371 -1.775699 0.318254
N 0.991670 -0.281154 0.168474
C -1.752808 -0.669951 0.261074
C -2.130892 -0.106574 -0.996269
C -3.655143 1.452890 0.197382
C -3.073582 0.949961 -0.995877
C -2.325099 -0.180608 1.459287
C -3.267119 0.870285 1.430052
C -1.528273 -0.616242 -2.291632
C 0.576666 -1.619817 0.218798
C -1.371670 -3.135922 0.461596
C -4.675596 2.576663 0.145828
C 2.314073 0.220583 0.035468
C 2.468896 1.635187 0.007690
C 3.463269 -0.609682 -0.069899
C 3.748199 2.211386 -0.123966
C 4.736716 -0.015113 -0.202763
C 4.894746 1.389620 -0.231395
H -3.369104 1.389992 -1.957351
H -2.019395 -0.629206 2.411289
H -3.700136 1.240785 2.366442
H -2.099337 -0.257063 -3.164378
H -0.481100 -0.277186 -2.409726
H -1.502436 -1.719955 -2.318934
H -2.060886 -3.371311 -0.371535
H -1.923988 -3.241283 1.414174
H -0.527892 -3.843725 0.447426
H -5.603760 2.250243 -0.360745
H -4.950202 2.920933 1.157353
H -4.289863 3.447460 -0.415911
H 0.255020 0.423130 0.265431
H 1.584833 2.281503 0.090090
H 3.340066 -1.693681 -0.042069
H 3.848160 3.302617 -0.142427
H 5.616533 -0.664088 -0.282745
H 5.889548 1.836156 -0.333741


