%chk=000272874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272874

0 1
O 0.820702 -0.195871 -1.924086
N 2.765440 -1.384000 0.275630
N -3.286995 0.844392 0.600492
C 1.277122 -1.426449 0.136615
C 3.252253 -2.229011 1.416089
C 3.443320 -1.781935 -1.004882
C 0.818455 -0.084858 -0.482983
C 2.790869 -1.679702 2.775888
C 4.840999 -1.143049 -1.051716
C -0.609123 0.238991 -0.099537
C 3.264899 -0.241476 3.021171
C 5.541720 -1.437109 -2.383851
C -0.888483 0.823601 1.183269
C -1.641802 -0.017666 -0.967100
C -2.250437 1.112184 1.488091
C -2.989370 0.306120 -0.584792
C 3.016501 0.199479 4.461029
C 6.931606 -0.807318 -2.436350
C 0.107730 1.132528 2.159228
C -2.592750 1.704479 2.749309
C -4.107511 0.034785 -1.522721
C -0.241981 1.702451 3.357911
C -1.606324 1.992042 3.656343
C -3.973667 0.353758 -2.883862
C -5.300478 -0.536198 -1.052136
C -5.023781 0.090885 -3.766536
C -6.345221 -0.799658 -1.942145
C -6.208037 -0.488826 -3.298535
H 0.809629 -1.549867 1.141064
H 0.900754 -2.267991 -0.482622
H 2.938670 -3.291712 1.322628
H 4.366464 -2.222296 1.380771
H 3.512585 -2.882634 -1.136112
H 2.838932 -1.406876 -1.867756
H 1.509653 0.749423 -0.210060
H 3.174211 -2.346845 3.572845
H 1.685362 -1.723876 2.852430
H 5.457016 -1.509836 -0.207380
H 4.755538 -0.049377 -0.892703
H 2.736354 0.440696 2.315752
H 4.339603 -0.146987 2.774066
H 4.930776 -1.058152 -3.226674
H 5.622854 -2.531387 -2.536614
H -1.446248 -0.460028 -1.947692
H 1.746823 -0.359061 -2.233864
H 3.589941 -0.404432 5.173565
H 3.309724 1.244576 4.610763
H 1.958945 0.109659 4.735373
H 7.580689 -1.190980 -1.640878
H 7.425718 -1.016864 -3.391962
H 6.886261 0.282268 -2.323558
H 1.160916 0.904481 1.944867
H -3.644683 1.915002 2.949244
H 0.517402 1.944645 4.100383
H -1.847084 2.445908 4.617164
H -3.056480 0.814299 -3.250469
H -5.409976 -0.762177 0.009669
H -4.919920 0.340408 -4.821035
H -7.269004 -1.243995 -1.575704
H -7.023379 -0.694159 -3.989634


%chk=000272874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272874

0 1
O 1.310075 0.765625 -0.312599
N 2.787968 -1.245235 0.563155
N -3.611607 -0.009323 0.604201
C 1.368156 -1.276334 1.016872
C 3.775444 -1.287590 1.683434
C 3.106546 -2.234248 -0.514400
C 0.757193 0.173449 0.898989
C 3.735479 -0.075958 2.638623
C 4.307360 -1.822598 -1.391397
C -0.759514 0.142914 0.832451
C 4.126595 1.271366 1.989887
C 4.566291 -2.832564 -2.534544
C -1.556090 -0.104646 2.010947
C -1.408065 0.324765 -0.388087
C -2.993808 -0.180028 1.830661
C -2.841116 0.249316 -0.482386
C 4.157894 2.429290 3.010531
C 5.766895 -2.433218 -3.418877
C -1.020130 -0.272459 3.329804
C -3.830506 -0.436011 2.965649
C -3.551519 0.445489 -1.781960
C -1.860796 -0.515410 4.420215
C -3.276649 -0.603195 4.236544
C -2.878846 0.891549 -2.952975
C -4.948491 0.187444 -1.860862
C -3.580789 1.069164 -4.164561
C -5.648119 0.362322 -3.071096
C -4.967797 0.803457 -4.231743
H 1.265244 -1.664829 2.049640
H 0.787388 -1.939064 0.350391
H 3.630542 -2.224867 2.275445
H 4.785409 -1.341928 1.237819
H 3.292109 -3.248020 -0.082730
H 2.215493 -2.317112 -1.163597
H 1.074338 0.773637 1.779123
H 4.438559 -0.293286 3.469459
H 2.734780 0.011302 3.109082
H 5.226764 -1.733981 -0.779313
H 4.111767 -0.818171 -1.817380
H 3.418743 1.517354 1.176331
H 5.123693 1.164991 1.515549
H 3.656204 -2.916907 -3.162676
H 4.742720 -3.839361 -2.103458
H -0.785789 0.527854 -1.261200
H 2.226839 0.329286 -0.352617
H 4.885410 2.231333 3.820834
H 4.440375 3.382229 2.527604
H 3.165379 2.573189 3.478390
H 6.697334 -2.374962 -2.823157
H 5.930762 -3.165546 -4.230295
H 5.604256 -1.443217 -3.884563
H 0.060576 -0.195216 3.494254
H -4.909834 -0.487440 2.792302
H -1.436599 -0.634228 5.423456
H -3.924368 -0.795075 5.099082
H -1.808375 1.118717 -2.926489
H -5.457169 -0.145970 -0.951610
H -3.045872 1.419100 -5.054693
H -6.723753 0.156176 -3.112370
H -5.511281 0.941080 -5.173391


