%chk=000177182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177182

0 1
O -2.177131 -2.827527 0.217654
O -4.296842 -1.618015 1.385135
O -6.122593 -0.069773 -0.171730
O -4.227926 2.168816 -0.771186
O 5.857470 -1.815637 0.017310
O 4.148228 -2.888762 -0.735884
N 4.675739 -1.881315 -0.292143
C -1.843128 -0.429241 -0.169050
C -2.680724 -1.667273 -0.441718
C -4.166011 -1.520910 -0.037818
C -4.754034 -0.195472 -0.544891
C -3.966571 1.004887 0.030959
C -2.463837 0.821163 0.001511
C -0.432279 -0.508984 -0.169602
C 0.346993 0.669616 0.017773
C -0.301570 1.924329 0.184143
C -1.700068 1.982122 0.166772
C 1.793199 0.608211 0.032301
C 0.288564 -1.755716 -0.369119
C 2.460613 -0.641353 -0.153015
C 2.544086 1.800422 0.227977
C 0.496581 3.123371 0.367902
C 1.640723 -1.817748 -0.359152
C 1.848912 3.064007 0.392536
C 3.872864 -0.654890 -0.118638
C 3.950945 1.743505 0.258015
C 4.603636 0.532557 0.092176
H -2.587503 -1.939544 -1.525864
H -4.766546 -2.399217 -0.382902
H -4.785358 -0.148236 -1.661026
H -4.311684 1.230669 1.070175
H -2.213013 2.945365 0.261501
H -0.297754 -2.672677 -0.525049
H -0.033545 4.070832 0.484487
H 2.147884 -2.780287 -0.519805
H -2.436044 -2.829007 1.174519
H -3.755290 -0.933022 1.840676
H -6.266474 -0.420686 0.743385
H -5.203685 2.284085 -0.874526
H 2.454682 3.960392 0.532938
H 4.528040 2.655674 0.412892
H 5.700755 0.484968 0.124083


%chk=000177182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177182

0 1
O -2.267766 -2.883836 0.467825
O -4.544032 -1.660856 1.332685
O -6.148850 -0.012971 -0.506230
O -4.342727 2.272236 -0.506120
O 6.040769 -1.758924 -0.097070
O 4.232324 -2.949045 -0.782880
N 4.773794 -1.851061 -0.358789
C -1.842681 -0.445317 -0.067119
C -2.680623 -1.713888 -0.326510
C -4.200740 -1.513343 -0.114620
C -4.693059 -0.163404 -0.639368
C -3.981209 0.987160 0.095787
C -2.465178 0.828151 0.076916
C -0.407717 -0.523850 -0.088381
C 0.387244 0.670800 0.055716
C -0.271793 1.944190 0.215079
C -1.684595 1.995284 0.213624
C 1.827672 0.610295 0.026693
C 0.298958 -1.770181 -0.277581
C 2.504859 -0.657894 -0.171163
C 2.585631 1.829708 0.188817
C 0.516903 3.145434 0.363072
C 1.681512 -1.837016 -0.325254
C 1.896865 3.087935 0.356323
C 3.941934 -0.639430 -0.171355
C 4.006207 1.776680 0.178297
C 4.673516 0.560219 0.008129
H -2.517944 -2.021798 -1.377565
H -4.754041 -2.343050 -0.581940
H -4.493484 -0.076270 -1.722009
H -4.341938 0.992014 1.154873
H -2.197983 2.958569 0.293464
H -0.276900 -2.694159 -0.354821
H -0.004485 4.101761 0.481790
H 2.170943 -2.796630 -0.484434
H -2.850453 -2.905308 1.276271
H -4.096887 -0.942450 1.854872
H -6.412723 -0.408424 0.367226
H -5.330372 2.264679 -0.621375
H 2.496050 3.997622 0.473209
H 4.578988 2.701851 0.301725
H 5.764315 0.504218 0.005894


