%chk=000180642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180642

0 1
O 0.749595 3.260872 0.008953
O 3.672906 -1.453847 -0.721928
O 4.439692 -0.273189 1.052804
N -0.405555 1.543821 0.990568
C -3.190864 0.120082 0.448448
C -4.110209 -0.606382 -0.542733
C -2.624368 1.408925 -0.159158
C -4.679603 -1.897827 0.061265
C -1.732334 2.186276 0.818994
C -5.595401 -2.623319 -0.921719
C 0.750272 2.149611 0.508218
C 2.006159 1.354505 0.719975
C 2.304882 0.270491 0.004980
C 3.582253 -0.452098 0.220426
C 4.874653 -2.270502 -0.687901
H -2.367146 -0.552521 0.753641
H -3.750031 0.354079 1.375545
H -4.939432 0.060419 -0.848966
H -3.556338 -0.840139 -1.472453
H -2.060637 1.179776 -1.085641
H -3.456186 2.068382 -0.480886
H -3.852712 -2.569036 0.365408
H -5.237994 -1.665768 0.989426
H -2.214392 2.268740 1.818782
H -1.581153 3.230715 0.446901
H -6.448510 -2.000743 -1.214957
H -5.064414 -2.903035 -1.838833
H -5.997704 -3.543499 -0.482961
H -0.403820 0.588375 1.329936
H 2.677267 1.770208 1.484075
H 1.660612 -0.142054 -0.778159
H 5.010138 -2.695423 0.311984
H 5.735505 -1.654983 -0.967642
H 4.660169 -3.040014 -1.437094


%chk=000180642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180642

0 1
O 0.411859 3.335230 -0.383653
O 3.298997 -1.837862 0.002189
O 4.504636 0.157199 -0.187731
N -0.370334 1.652448 1.035752
C -2.999308 0.088562 0.437316
C -4.061157 -0.506985 -0.514860
C -2.753164 1.594792 0.199709
C -4.303435 -2.017448 -0.292161
C -1.722871 2.225009 1.167653
C -5.364782 -2.603209 -1.248408
C 0.598846 2.241777 0.240920
C 1.911789 1.526257 0.140567
C 2.071891 0.172567 0.137531
C 3.411939 -0.440357 -0.035660
C 4.570628 -2.582286 -0.155558
H -2.047620 -0.468056 0.305928
H -3.319431 -0.073777 1.488917
H -5.018309 0.040271 -0.385740
H -3.746414 -0.337506 -1.565588
H -2.412268 1.763727 -0.840004
H -3.708299 2.146839 0.314658
H -3.346060 -2.562646 -0.421855
H -4.617230 -2.185482 0.758548
H -2.055859 2.095749 2.215413
H -1.631948 3.305914 0.960459
H -6.339247 -2.095917 -1.117283
H -5.060259 -2.474730 -2.304257
H -5.519554 -3.683219 -1.070354
H -0.134719 0.808159 1.558725
H 2.782644 2.172308 -0.026728
H 1.232749 -0.526344 0.230863
H 5.275733 -2.307829 0.647184
H 5.028768 -2.350392 -1.131831
H 4.287090 -3.641862 -0.091364


