%chk=000103707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103707

0 1
O 1.217626 1.548584 1.793461
N -1.900912 0.940159 0.217881
N 0.103901 1.789934 -0.873136
C -2.036068 1.712786 -2.228133
C -2.744540 1.528092 -0.866018
C -0.479203 1.105115 0.058740
C -0.654155 2.361306 -1.991988
C -2.401588 -0.351436 0.763980
C 0.377840 0.537387 1.208036
C -1.902989 0.399563 -2.998231
C -2.179856 -1.570258 -0.143987
C -2.627857 -2.864903 0.545900
C 1.348639 -0.509759 0.707437
C -2.363990 -4.086749 -0.330769
C 1.150781 -1.860026 1.027213
C 2.455553 -0.124273 -0.062313
C 0.500677 2.684894 2.353867
C 2.053775 -2.821983 0.564989
C 3.357522 -1.089802 -0.516357
C 1.546738 3.379160 3.208017
C 3.156348 -2.438721 -0.205652
H -2.658204 2.413611 -2.838076
H -3.671284 0.933835 -1.003753
H -3.061552 2.529207 -0.487955
H -0.766195 3.455097 -1.813964
H -0.010497 2.257888 -2.896164
H -3.484799 -0.228028 0.987318
H -1.903747 -0.513001 1.751240
H -0.281400 0.137166 2.020544
H -1.502290 0.568345 -4.004722
H -1.214334 -0.292105 -2.494677
H -2.866616 -0.107235 -3.110542
H -2.729116 -1.441969 -1.096161
H -1.109849 -1.642627 -0.428632
H -2.100646 -2.982378 1.513336
H -3.706210 -2.808501 0.793318
H -1.297855 -4.190946 -0.566644
H -2.680936 -5.009409 0.168291
H -2.903396 -4.026879 -1.282875
H 0.301578 -2.165707 1.634829
H 2.593665 0.936183 -0.297493
H 0.154906 3.312075 1.512662
H -0.362673 2.329987 2.940249
H 1.900248 -3.870464 0.810538
H 4.217258 -0.789515 -1.112198
H 1.169661 4.319755 3.620339
H 1.872804 2.739603 4.038001
H 2.445499 3.599754 2.613621
H 3.858937 -3.189512 -0.560967


%chk=000103707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103707

0 1
O 1.330633 1.700289 1.751665
N -1.835902 0.648576 -0.012554
N -0.183778 2.354693 -0.473101
C -2.017930 1.884857 -2.181548
C -2.777059 1.235428 -0.998649
C -0.608276 1.301899 0.194902
C -1.016707 2.900288 -1.573019
C -2.247077 -0.636114 0.592328
C 0.317373 0.742410 1.312422
C -1.309480 0.828646 -3.058808
C -2.036883 -1.867894 -0.324214
C -2.529498 -3.174716 0.336433
C 1.090277 -0.491390 0.852048
C -2.310130 -4.411607 -0.561019
C 1.098542 -1.677153 1.623165
C 1.847194 -0.435646 -0.344820
C 0.783972 2.904422 2.408326
C 1.837675 -2.805207 1.198857
C 2.590667 -1.558814 -0.767622
C 1.978214 3.690497 2.948004
C 2.583517 -2.749280 -0.000986
H -2.754380 2.431764 -2.804216
H -3.443918 0.434012 -1.365297
H -3.414416 1.996689 -0.500184
H -1.566551 3.787228 -1.192770
H -0.329009 3.274408 -2.355204
H -3.322323 -0.561886 0.859387
H -1.703765 -0.798656 1.538155
H -0.318592 0.480104 2.190022
H -0.788535 1.311213 -3.906084
H -0.558474 0.263781 -2.478030
H -2.032967 0.103208 -3.476902
H -2.572985 -1.714750 -1.283275
H -0.961389 -1.955018 -0.567758
H -1.995208 -3.320258 1.297886
H -3.606924 -3.082518 0.586915
H -1.236888 -4.539350 -0.795610
H -2.663334 -5.336650 -0.069301
H -2.853673 -4.309221 -1.519307
H 0.536008 -1.715890 2.565210
H 1.852038 0.496934 -0.919958
H 0.215589 3.493334 1.663645
H 0.098614 2.597424 3.232436
H 1.837933 -3.719108 1.803856
H 3.178649 -1.508047 -1.691263
H 1.636940 4.617730 3.444749
H 2.550156 3.088616 3.675630
H 2.653529 3.965069 2.119533
H 3.159725 -3.621045 -0.331674


