%chk=000104344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104344

0 1
O -2.824412 -4.193567 0.190115
O -0.615557 2.317489 -0.093987
O -2.016831 3.333642 2.286702
N 0.499691 0.057388 -0.919340
N 6.137378 0.289651 -0.254682
C -1.766474 -0.611623 -0.164773
C -2.397744 0.669876 -0.022101
C -2.626211 -1.755754 -0.119784
C -0.342324 -0.871238 -0.293601
C -3.784267 0.792003 -0.104364
C -4.039522 -1.598399 -0.267202
C -2.059885 -3.046414 0.099274
C -4.607258 -0.355099 -0.307697
C 0.156665 -2.135985 0.051166
C -1.677117 1.933160 0.332334
C -0.696135 -3.227447 0.260352
C 1.926290 0.063984 -0.682170
C -4.457283 2.089191 0.101235
C -2.484644 2.870758 1.283482
C -3.859178 3.083731 0.771800
C 4.718101 0.157108 -0.328913
C 2.497141 1.040057 0.153872
C 2.748734 -0.854031 -1.353536
C 3.875157 1.085071 0.330207
C 4.128159 -0.814190 -1.171788
C 6.672324 0.979448 0.952545
C 6.931406 -0.928132 -0.579545
H -4.654201 -2.499063 -0.346227
H -5.679628 -0.227365 -0.449948
H 1.232999 -2.296968 0.123339
H 0.118563 0.994110 -1.125063
H -0.298083 -4.211207 0.507146
H -5.475029 2.182304 -0.286354
H -4.325310 4.039914 1.001951
H 1.856759 1.766934 0.659218
H 2.304700 -1.593373 -2.021856
H 4.299401 1.854968 0.972462
H 4.749326 -1.530569 -1.705769
H -3.791574 -3.996110 0.132655
H 6.235035 1.991481 1.023020
H 7.761615 1.111113 0.846721
H 6.473975 0.445829 1.894966
H 8.004417 -0.675376 -0.583818
H 6.681159 -1.269640 -1.599711
H 6.771770 -1.763661 0.119465


%chk=000104344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104344

0 1
O -2.998389 -4.326712 -0.358076
O -0.836760 1.881021 1.576194
O -1.773465 4.295398 0.708224
N 0.568860 -0.074040 0.796263
N 6.124750 0.206783 -0.373654
C -1.806035 -0.723277 0.235716
C -2.424991 0.610978 0.209076
C -2.666110 -1.861612 -0.127163
C -0.398606 -1.052818 0.506761
C -3.759004 0.774893 -0.308387
C -4.007802 -1.636320 -0.590922
C -2.184086 -3.208343 -0.067812
C -4.528876 -0.361747 -0.704780
C 0.022753 -2.408237 0.498947
C -1.834203 1.858655 0.774107
C -0.848648 -3.477919 0.239682
C 1.937391 -0.087326 0.495516
C -4.393182 2.076767 -0.451121
C -2.448985 3.245579 0.453245
C -3.785808 3.265082 -0.117241
C 4.757788 0.114607 -0.092203
C 2.780341 0.827704 1.198910
C 2.537512 -0.887714 -0.523099
C 4.147249 0.930466 0.916565
C 3.907282 -0.791113 -0.806812
C 6.965597 1.157282 0.366438
C 6.716486 -0.619020 -1.434178
H -4.618912 -2.484750 -0.919768
H -5.538814 -0.205635 -1.099199
H 1.060113 -2.623763 0.766706
H 0.189067 0.764446 1.304771
H -0.508287 -4.515544 0.293478
H -5.405657 2.082413 -0.873762
H -4.262844 4.237254 -0.273854
H 2.338020 1.471975 1.967510
H 1.920997 -1.569079 -1.116197
H 4.743941 1.652560 1.479895
H 4.317046 -1.418704 -1.602943
H -3.950643 -4.140449 -0.167885
H 6.630865 2.204264 0.219568
H 8.005188 1.080717 0.012094
H 6.959973 0.946222 1.454636
H 7.796441 -0.414740 -1.498219
H 6.268410 -0.401314 -2.425099
H 6.586138 -1.700892 -1.230130


