%chk=000179720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179720

0 1
O 0.479504 0.411965 0.251499
O -2.469863 -2.310330 1.039748
O -0.714386 -1.046127 1.856757
O 2.400948 1.645917 0.252294
O -3.553244 2.050990 -0.388268
O -2.217398 1.437626 1.295781
O 4.250391 -2.158895 -0.593878
C -0.957632 -1.425320 -0.605522
C 0.167392 -0.399637 -0.920655
C -2.261104 -0.793349 -1.187145
C -3.277508 -0.280712 -0.143997
C -1.099803 -1.921013 0.845087
C -0.442435 0.530031 -1.955098
C -1.756915 0.324688 -2.082862
C 1.493127 -1.027326 -1.312366
C -3.435364 -1.256192 1.044385
C 1.911968 0.342754 0.547256
C 2.470783 -0.618461 -0.496401
C -2.909214 1.096313 0.365784
C 2.095561 -0.009709 1.999415
C 3.913334 -0.997672 -0.545646
C 4.879110 0.142217 -0.553010
H -0.747565 -2.341851 -1.217906
H -2.785506 -1.571778 -1.795583
H -4.270431 -0.186737 -0.666032
H -0.558335 -2.871573 1.057817
H 0.175580 1.260806 -2.451051
H -2.449229 0.856670 -2.718602
H 1.564673 -1.703627 -2.150883
H -3.358433 -0.734596 2.019876
H -4.387456 -1.817139 0.989733
H 3.117670 -0.337171 2.220777
H 1.870033 0.840130 2.657760
H 1.401667 -0.822501 2.295541
H -0.872446 -0.076317 1.637910
H 1.699696 2.319302 0.409373
H -3.342528 2.979753 -0.096865
H 5.043079 0.505959 -1.578947
H 5.860153 -0.154208 -0.156370
H 4.520329 1.014220 0.022893


%chk=000179720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179720

0 1
O 0.448977 0.555504 0.082407
O -2.555690 -2.477479 0.932223
O -0.723365 -1.209851 1.904398
O 2.468711 1.844685 -0.237705
O -3.441286 2.135162 -0.184581
O -2.067326 1.243956 1.444193
O 4.174008 -1.932749 -1.492467
C -1.024708 -1.435580 -0.632684
C 0.112565 -0.413379 -1.015193
C -2.363712 -0.823516 -1.172317
C -3.334577 -0.270725 -0.063492
C -1.138432 -2.025690 0.808993
C -0.538891 0.375334 -2.147640
C -1.884530 0.194406 -2.191400
C 1.441926 -1.053561 -1.322192
C -3.491568 -1.353617 1.064981
C 1.920432 0.595252 0.302641
C 2.458224 -0.525472 -0.588178
C -2.866202 1.062032 0.492478
C 2.135626 0.494920 1.818144
C 3.887742 -0.947988 -0.747895
C 4.969832 -0.173243 -0.014363
H -0.838813 -2.316736 -1.276384
H -2.942405 -1.628782 -1.663016
H -4.308002 -0.079772 -0.547782
H -0.575045 -2.964650 0.908041
H 0.050029 1.059613 -2.764074
H -2.569172 0.716843 -2.866749
H 1.570962 -1.842497 -2.067317
H -3.366752 -0.888193 2.061318
H -4.485544 -1.823723 1.007262
H 3.200070 0.613880 2.078419
H 1.558535 1.293600 2.320819
H 1.757331 -0.469839 2.192306
H -0.944731 -0.244638 1.751242
H 2.115870 2.598351 0.303080
H -3.072219 2.989428 0.171080
H 4.771879 0.911680 -0.051353
H 5.950497 -0.409264 -0.455472
H 4.987956 -0.476605 1.050830


