%chk=000299332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299332

0 1
O 1.002892 -1.054341 -0.874011
O 3.107424 3.576746 0.036193
O 4.868960 1.539684 1.122102
O -0.744098 3.420089 0.356710
O 0.989425 4.204316 -0.642465
N -1.126058 -1.304299 -0.053523
N 0.448917 3.373984 0.061323
N -0.474187 1.169868 -2.340444
C -1.408192 0.179839 -0.081849
C -0.796615 0.850595 1.183278
C -2.907819 0.497736 -0.079492
C -3.862913 -0.473286 0.270105
C 0.682525 1.097265 1.151850
C -2.134972 -2.194579 0.417572
C -3.416623 -1.821457 0.593870
C -3.326909 1.801870 -0.391713
C 0.131269 -1.812043 -0.508567
C -0.852401 0.729140 -1.343832
C 1.258178 2.276415 0.604983
C -5.229425 -0.135694 0.291978
C 1.511631 0.129093 1.725109
C -4.681888 2.128062 -0.370944
C -5.634116 1.157511 -0.030523
C 2.676423 2.411205 0.568737
C 0.291052 -3.302015 -0.505823
C 2.904667 0.258249 1.700418
C 3.486591 1.375334 1.112810
C 0.956191 -3.924878 0.557760
C -0.163370 -4.047121 -1.601149
C 1.156610 -5.307681 0.527140
C 0.043691 -5.429453 -1.624700
C 0.700585 -6.058733 -0.561973
C 4.534416 3.873560 0.017703
C 5.576540 0.576194 0.292645
H -1.068489 0.229646 2.065658
H -1.335853 1.818886 1.372637
H -1.799833 -3.218194 0.626771
H -4.158188 -2.523749 0.971499
H -2.588763 2.575367 -0.640930
H -5.967592 -0.889405 0.558742
H 1.071475 -0.757513 2.178245
H -4.998783 3.140847 -0.617668
H -6.692085 1.417713 -0.016861
H 3.540114 -0.514551 2.135903
H 1.320689 -3.335327 1.398305
H -0.669035 -3.551665 -2.431640
H 1.673000 -5.800065 1.350412
H -0.304573 -6.015289 -2.475246
H 0.861112 -7.136721 -0.584078
H 4.521869 4.912060 -0.339315
H 5.036924 3.207261 -0.687877
H 4.960833 3.787141 1.022729
H 5.206825 0.613516 -0.736191
H 5.474232 -0.427678 0.711896
H 6.611117 0.930346 0.363435


%chk=000299332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299332

0 1
O 0.782538 -0.698148 -1.554075
O 3.661991 3.017535 -0.351637
O 4.834894 1.003682 1.232304
O 0.053485 4.023222 -0.105962
O 1.364825 3.374636 -1.855355
N -1.123505 -1.081538 -0.258113
N 0.936159 3.243710 -0.657618
N -1.207655 1.360193 -2.856800
C -1.581097 0.348554 -0.417454
C -0.919685 1.284591 0.687457
C -3.116990 0.438317 -0.187664
C -3.709814 -0.425861 0.781341
C 0.590570 1.238474 0.822940
C -1.698522 -1.833163 0.794061
C -2.907274 -1.508867 1.344038
C -3.892162 1.443725 -0.800805
C 0.029392 -1.523893 -0.962951
C -1.279872 0.847177 -1.782991
C 1.477396 2.147279 0.183150
C -5.075389 -0.245995 1.127320
C 1.175460 0.255042 1.648956
C -5.251891 1.610995 -0.450143
C -5.842266 0.769039 0.520788
C 2.888830 2.090271 0.336783
C 0.303084 -3.000386 -1.011742
C 2.571851 0.151156 1.815609
C 3.435471 1.050558 1.155424
C 1.661012 -3.412018 -1.032224
C -0.724697 -3.969035 -1.161829
C 1.987382 -4.777226 -1.163603
C -0.393737 -5.333378 -1.310833
C 0.960475 -5.741775 -1.301189
C 4.708874 3.766218 0.383860
C 5.433872 -0.098112 1.992059
H -1.367931 0.964484 1.645437
H -1.276491 2.308167 0.489823
H -1.111573 -2.688201 1.134197
H -3.301085 -2.110786 2.167571
H -3.441569 2.101538 -1.550976
H -5.531513 -0.916000 1.865775
H 0.518951 -0.443728 2.179219
H -5.842236 2.398043 -0.930471
H -6.893995 0.901689 0.796657
H 2.977551 -0.633935 2.460024
H 2.441174 -2.646484 -0.964204
H -1.773847 -3.655827 -1.192431
H 3.037218 -5.089605 -1.172605
H -1.189623 -6.074122 -1.443382
H 1.214275 -6.801631 -1.414101
H 5.080866 4.496660 -0.349250
H 5.514162 3.093435 0.715929
H 4.264673 4.292660 1.249638
H 5.131014 -1.078064 1.576219
H 5.160988 -0.044328 3.063670
H 6.519380 0.034857 1.877858


