%chk=000245837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245837

0 1
O -0.559888 0.427346 1.514900
N -1.614387 -0.881335 -0.060672
C 2.210890 0.714765 -0.592645
C 3.681673 0.416033 -1.070706
C 3.325205 -1.220658 0.461154
C 2.011318 -0.378048 0.534451
C 3.701031 -1.139832 -1.044039
C 4.694862 0.750185 0.059750
C 4.456914 -0.371112 1.106844
C 0.766341 -1.264482 0.404468
C 2.034199 2.118767 -0.007812
C 1.258330 0.569988 -1.789108
C -0.490093 -0.466859 0.696323
C -2.937648 -0.340679 0.018642
C -3.913445 -0.894141 -0.838761
C -3.278883 0.696303 0.904205
C -5.218223 -0.402289 -0.798331
C -4.590472 1.171723 0.926494
C -5.563399 0.629283 0.080604
H 3.929833 0.881354 -2.029995
H 3.238451 -2.229636 0.877187
H 1.948708 0.135015 1.524963
H 4.681737 -1.570864 -1.277002
H 2.971951 -1.608450 -1.713564
H 4.527982 1.751934 0.484250
H 5.726163 0.734314 -0.321816
H 5.362448 -0.974379 1.266517
H 4.167107 0.031956 2.087431
H 0.825663 -2.090615 1.147308
H 0.747915 -1.755600 -0.586739
H 2.751953 2.325610 0.795124
H 2.163065 2.894252 -0.768591
H 1.029573 2.236727 0.423688
H 1.292791 -0.430810 -2.228682
H 0.221466 0.785373 -1.508635
H 1.520789 1.279877 -2.582456
H -1.490556 -1.632181 -0.742263
H -3.661434 -1.695653 -1.526777
H -2.524507 1.127532 1.570660
H -5.973173 -0.827762 -1.458838
H -4.855449 1.975863 1.613375
H -6.581999 1.007187 0.106294


%chk=000245837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245837

0 1
O -0.572446 0.515164 1.591838
N -1.656349 -0.801275 -0.021515
C 2.283958 0.760149 -0.598268
C 3.734396 0.371277 -1.090443
C 3.320390 -1.223114 0.480096
C 2.026427 -0.344841 0.532236
C 3.690703 -1.184769 -1.030743
C 4.806283 0.665751 0.000864
C 4.495355 -0.411658 1.105614
C 0.738830 -1.193434 0.402763
C 2.180859 2.188112 -0.006591
C 1.310221 0.686808 -1.806756
C -0.538666 -0.399554 0.714993
C -2.999696 -0.329621 0.050554
C -3.947519 -0.927394 -0.824862
C -3.415990 0.694332 0.943690
C -5.293218 -0.509813 -0.810344
C -4.768326 1.100274 0.945225
C -5.713879 0.508984 0.076525
H 3.974777 0.814890 -2.072774
H 3.190492 -2.225055 0.926559
H 1.955273 0.164279 1.512081
H 4.669096 -1.651111 -1.248063
H 2.931802 -1.642835 -1.688697
H 4.760355 1.698967 0.382730
H 5.817961 0.519417 -0.421266
H 5.370124 -1.062770 1.288027
H 4.209179 0.040096 2.072843
H 0.795529 -2.010531 1.152400
H 0.670249 -1.679668 -0.589523
H 2.800954 2.308695 0.898979
H 2.497977 2.951292 -0.743728
H 1.137050 2.401370 0.287455
H 1.354886 -0.281230 -2.338331
H 0.263618 0.863688 -1.498748
H 1.572090 1.474886 -2.538029
H -1.490694 -1.540007 -0.709471
H -3.629828 -1.719014 -1.516629
H -2.683812 1.149931 1.612306
H -6.011734 -0.979731 -1.491048
H -5.082480 1.890442 1.636545
H -6.759396 0.834623 0.088708


