%chk=000213318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213318

0 1
O -5.842316 0.794962 1.503109
O -6.610321 1.603549 -0.592144
N -1.115027 -1.333589 0.495043
N 1.510869 -0.608553 1.528010
N 3.031713 0.638449 0.177127
N 3.471526 -1.735091 0.733040
N 4.964787 1.661975 -1.036150
N 6.351767 -0.173466 -1.089951
C -0.495534 -0.011773 0.146204
C -0.054801 -2.379799 0.686504
C 0.458284 0.420293 1.277279
C 0.897974 -1.938561 1.816093
C -2.082447 -1.769422 -0.567347
C -3.272728 -0.840009 -0.617370
C 2.683327 -0.564187 0.755660
C -3.929004 -0.503264 0.596992
C -3.724384 -0.358249 -1.846979
C -5.026738 0.316071 0.485131
C 4.276816 0.636391 -0.387670
C -5.488234 0.802837 -0.774926
C -4.857390 0.482446 -1.954669
C 5.159321 -0.511462 -0.429527
C 4.682379 -1.701856 0.160878
C -6.865652 1.616174 0.850457
C 6.224893 1.110264 -1.441466
C 4.497223 3.033402 -1.249847
H -1.314571 0.736022 0.051291
H 0.046309 -0.023568 -0.823823
H 0.527778 -2.590842 -0.236378
H -0.553551 -3.328328 0.981906
H 0.921019 1.404395 1.039809
H -0.103793 0.545114 2.232062
H 0.339761 -1.833797 2.775501
H 1.687094 -2.707796 1.979360
H -2.448955 -2.789670 -0.297189
H -1.610236 -1.863287 -1.570800
H -3.558963 -0.871239 1.553148
H -3.202031 -0.628499 -2.763801
H -5.202856 0.849639 -2.916126
H 5.278327 -2.624067 0.161329
H -6.745692 2.648070 1.205058
H -7.840064 1.141514 1.024816
H 6.957945 1.703601 -1.969263
H 5.177201 3.760107 -0.770210
H 4.430124 3.262782 -2.328227
H 3.488749 3.168518 -0.808042


%chk=000213318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213318

0 1
O -5.529753 1.308787 1.756635
O -6.904106 1.634934 -0.182802
N -1.235603 -1.402540 0.110107
N 1.483858 -0.707081 0.683596
N 3.280838 0.658224 -0.022475
N 3.653586 -1.626141 0.841570
N 5.390287 1.772930 -0.653706
N 6.878979 0.090651 -0.128471
C -0.611832 -0.218406 -0.531587
C -0.226186 -2.461751 0.359406
C 0.508430 0.349807 0.361000
C 0.899360 -1.928018 1.266955
C -2.417981 -1.902345 -0.631531
C -3.604174 -0.944022 -0.574913
C 2.842821 -0.547753 0.492985
C -3.916284 -0.289511 0.654058
C -4.416802 -0.740164 -1.716147
C -5.042738 0.530470 0.671972
C 4.621878 0.712949 -0.167779
C -5.854061 0.722563 -0.468466
C -5.564881 0.101579 -1.684131
C 5.558323 -0.324815 0.154530
C 4.994731 -1.511371 0.672271
C -6.827572 1.858421 1.285517
C 6.733157 1.336646 -0.604276
C 4.876357 3.067599 -1.110352
H -1.387010 0.554155 -0.680604
H -0.186568 -0.477996 -1.534621
H 0.225392 -2.836798 -0.594242
H -0.721864 -3.314390 0.860479
H 1.039392 1.171571 -0.141817
H 0.059310 0.733052 1.300443
H 0.473304 -1.687028 2.262812
H 1.702755 -2.669661 1.387833
H -2.703404 -2.867300 -0.165222
H -2.180810 -2.126237 -1.702852
H -3.273103 -0.428382 1.526750
H -4.157750 -1.243864 -2.654532
H -6.186387 0.261441 -2.568727
H 5.607535 -2.374547 0.953889
H -6.852882 2.940830 1.484710
H -7.652243 1.307956 1.777211
H 7.551234 1.977571 -0.928990
H 5.280583 3.892057 -0.497382
H 5.132119 3.243211 -2.169879
H 3.779658 3.048918 -1.005327


