%chk=000179308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179308

0 1
O 2.344950 -2.809901 1.509976
O 2.245833 -0.708832 2.016268
O -3.905742 -0.095895 -1.383133
O -4.599631 0.469580 0.584843
N 2.379605 -1.623579 1.231588
N -3.753149 0.423205 -0.292582
C 1.379755 -0.704543 -0.910566
C 2.655062 -1.305518 -0.249304
C 1.221947 0.737275 -0.500416
C 3.899659 -0.404542 -0.342098
C 2.343120 1.550810 -0.551706
C 3.644139 0.956600 -1.005525
C 0.164866 -1.567390 -0.652980
C -0.047446 1.273330 -0.130352
C -1.228849 0.440664 -0.109302
C -1.047090 -1.021659 -0.176511
C -0.143029 2.660655 0.153259
C 2.249621 2.925548 -0.198420
C 0.269188 -2.950715 -0.868855
C 1.035395 3.467511 0.144709
C -2.451860 1.087614 -0.025178
C -2.050371 -1.908432 0.261854
C -1.428388 3.240694 0.406695
C -2.556862 2.479812 0.286658
C -0.773258 -3.807890 -0.516496
C -1.921432 -3.285883 0.086443
H 1.565899 -0.709982 -2.025763
H 2.874682 -2.293100 -0.740751
H 4.697603 -0.939894 -0.894261
H 4.316131 -0.218500 0.674128
H 3.626374 0.847774 -2.112037
H 4.495656 1.634253 -0.790062
H 3.150139 3.539697 -0.209185
H 1.180180 -3.371824 -1.294347
H 0.950058 4.522213 0.406779
H -2.939850 -1.539361 0.774054
H -1.487922 4.296071 0.673280
H -3.551257 2.909623 0.437419
H -0.682097 -4.880334 -0.688583
H -2.717733 -3.952352 0.419263


%chk=000179308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179308

0 1
O 2.199041 -2.808689 1.661515
O 2.190994 -0.570249 2.102952
O -3.955862 -0.155884 -1.254407
O -4.682641 0.628571 0.762106
N 2.342658 -1.577183 1.316936
N -3.764890 0.454930 -0.134009
C 1.420507 -0.720726 -0.898866
C 2.696326 -1.298054 -0.155785
C 1.232207 0.738492 -0.541864
C 3.925958 -0.351585 -0.234887
C 2.360656 1.570967 -0.656745
C 3.655387 0.919220 -1.089633
C 0.185286 -1.593129 -0.700469
C -0.036722 1.269743 -0.148453
C -1.213139 0.423449 -0.098345
C -1.047754 -1.047694 -0.226250
C -0.128906 2.687615 0.137565
C 2.263576 2.956462 -0.341838
C 0.284640 -2.983027 -0.950185
C 1.041580 3.504236 0.050686
C -2.444060 1.089121 0.102287
C -2.080221 -1.959725 0.142295
C -1.396893 3.254515 0.485882
C -2.541517 2.470232 0.449418
C -0.780352 -3.858037 -0.667781
C -1.954904 -3.341750 -0.074427
H 1.728764 -0.777830 -1.967806
H 2.923600 -2.298240 -0.553792
H 4.788223 -0.906451 -0.644269
H 4.187335 -0.027945 0.787097
H 3.599718 0.630225 -2.160192
H 4.505247 1.617502 -0.993726
H 3.156035 3.587991 -0.416248
H 1.216117 -3.395253 -1.354074
H 0.958140 4.571517 0.283850
H -2.987124 -1.601834 0.633354
H -1.460293 4.317575 0.740525
H -3.531003 2.886011 0.657096
H -0.682654 -4.929811 -0.868377
H -2.769163 -4.012477 0.217665


