%chk=000213233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213233

0 1
O 2.291380 1.459006 -2.362045
O 1.354307 -1.699359 0.043778
O -3.397231 2.273961 0.348482
N 3.125753 -0.313100 -0.474391
N -3.411622 -0.023463 0.078563
C 0.804274 0.422970 -0.838408
C -1.476007 1.266682 -0.639421
C -0.475330 0.372079 -0.256393
C 4.218876 -1.171304 -0.114745
C -4.683246 -0.342332 0.664254
C 5.543596 -0.722829 -0.371750
C -5.070591 -1.708039 0.741944
C 1.037693 1.413877 -1.808165
C 1.767382 -0.637017 -0.395637
C -2.838394 1.255686 -0.013927
C -1.208951 2.257416 -1.603772
C 0.044929 2.330973 -2.199841
C 4.005021 -2.420712 0.489173
C -5.536113 0.660653 1.151516
C 6.613679 -1.547332 -0.006914
C -6.311998 -2.020557 1.307333
C 5.821521 0.599356 -1.014153
C -4.192376 -2.810924 0.243139
C 5.092559 -3.222813 0.840702
C -6.768283 0.318004 1.712158
C 6.396503 -2.790320 0.595756
C -7.159842 -1.019079 1.790745
H -0.665598 -0.392926 0.509398
H 3.387964 0.591616 -0.885241
H -1.995031 2.970574 -1.874966
H -2.890023 -0.816505 -0.304344
H 0.254434 3.089214 -2.949863
H 2.985702 -2.773567 0.685572
H -5.240058 1.714691 1.097305
H 7.634549 -1.216729 -0.195529
H -6.623948 -3.062492 1.374158
H 6.891931 0.741191 -1.220358
H 5.304033 0.701122 -1.978544
H 5.516281 1.432738 -0.365154
H -3.995923 -2.722413 -0.834502
H -3.228529 -2.835658 0.772471
H -4.647133 -3.801179 0.391883
H 4.914942 -4.190337 1.308764
H -7.422342 1.103731 2.088388
H 7.242797 -3.415504 0.871046
H -8.120074 -1.284815 2.227057
H 2.372039 2.152668 -3.067624


%chk=000213233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213233

0 1
O 2.542714 1.955756 -1.694762
O 1.207024 -1.547183 0.383258
O -3.794434 2.270703 -0.557431
N 3.058318 -0.412206 -0.522887
N -3.425943 0.055075 0.136863
C 0.806079 0.589084 -0.669137
C -1.540907 1.396483 -0.687321
C -0.564648 0.434839 -0.346687
C 4.120032 -1.313692 -0.226144
C -4.724518 -0.350049 0.561774
C 5.435708 -0.935297 -0.651408
C -4.861565 -1.690381 1.049379
C 1.183427 1.774558 -1.359787
C 1.710094 -0.546264 -0.225857
C -3.012736 1.285904 -0.363651
C -1.124727 2.569748 -1.369066
C 0.225384 2.756542 -1.703962
C 3.915267 -2.540740 0.461234
C -5.846971 0.518876 0.516078
C 6.509912 -1.808421 -0.367541
C -6.137456 -2.117273 1.481152
C 5.682754 0.369704 -1.391114
C -3.672089 -2.636142 1.108973
C 5.010795 -3.388155 0.727388
C -7.105352 0.058415 0.956675
C 6.313208 -3.029673 0.316758
C -7.259941 -1.258866 1.440954
H -0.786328 -0.488119 0.203841
H 3.309175 0.452850 -1.020458
H -1.884047 3.317691 -1.617005
H -2.708575 -0.667714 0.206462
H 0.538808 3.665501 -2.233657
H 2.904764 -2.807244 0.773873
H -5.715305 1.533709 0.137760
H 7.518467 -1.523328 -0.690410
H -6.249812 -3.141576 1.856134
H 6.753026 0.481624 -1.630152
H 5.124231 0.416660 -2.347133
H 5.384913 1.251750 -0.789822
H -3.226992 -2.819731 0.110045
H -2.866852 -2.260666 1.772406
H -3.978529 -3.617998 1.505018
H 4.839952 -4.331097 1.258500
H -7.965207 0.736337 0.918482
H 7.164100 -3.687526 0.523660
H -8.237461 -1.615807 1.782390
H 2.695744 2.810243 -2.165764


