%chk=000180331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180331

0 1
O 3.448933 -1.443380 0.743018
O -5.325124 -0.073170 -0.545822
O -4.302685 -0.869349 1.276277
C 1.790357 -0.404584 -0.638451
C 3.185903 -0.216144 0.030724
C 0.788436 0.212588 0.375830
C 3.044293 0.933529 1.062088
C 1.567136 1.356133 1.067139
C -0.492525 0.684246 -0.279839
C 1.474623 -1.857280 -0.967781
C 4.310319 0.015856 -0.976527
C -1.721240 -0.018491 0.237139
C -0.504915 1.627219 -1.224834
C -3.039369 0.446958 -0.385169
C -4.208005 -0.244008 0.247873
H 1.772776 0.193146 -1.581118
H 0.564993 -0.564936 1.149162
H 3.700359 1.784995 0.824947
H 3.349138 0.574594 2.061510
H 1.195076 1.523693 2.090821
H 1.433541 2.311768 0.530100
H 0.457551 -1.968948 -1.355200
H 2.170371 -2.254750 -1.715292
H 1.577527 -2.497653 -0.078361
H 4.411481 -0.848741 -1.645783
H 4.122937 0.895633 -1.601434
H 5.278312 0.163235 -0.487747
H 4.339029 -1.440219 1.134059
H -1.775708 0.105123 1.343966
H -1.603063 -1.114517 0.076900
H -1.388976 1.989686 -1.720794
H 0.391040 2.114565 -1.580740
H -3.043805 0.272692 -1.485042
H -3.163984 1.548036 -0.266817
H -6.136230 -0.502825 -0.166103


%chk=000180331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180331

0 1
O 3.063037 -1.328179 1.098658
O -5.410385 -0.172896 -0.447269
O -4.136576 -1.403062 1.052869
C 1.827064 -0.250171 -0.675669
C 3.179626 -0.235857 0.090083
C 0.833919 0.355512 0.369411
C 3.166311 1.144321 0.808737
C 1.663350 1.493704 1.053827
C -0.512750 0.781226 -0.221931
C 1.408758 -1.616715 -1.241792
C 4.420777 -0.475210 -0.783715
C -1.701658 -0.047715 0.247320
C -0.617417 1.804460 -1.113430
C -3.061791 0.339890 -0.352037
C -4.197345 -0.511175 0.178630
H 1.925852 0.477223 -1.509656
H 0.658416 -0.438790 1.121338
H 3.642849 1.905357 0.162158
H 3.751590 1.107403 1.746971
H 1.420608 1.558438 2.128751
H 1.411982 2.471064 0.606101
H 0.421700 -1.548301 -1.735179
H 2.130560 -1.981776 -1.995816
H 1.354188 -2.365499 -0.433262
H 4.403315 -1.495359 -1.205764
H 4.469827 0.247975 -1.618756
H 5.351179 -0.367334 -0.192545
H 3.867248 -1.302449 1.677100
H -1.760701 0.004668 1.353408
H -1.495592 -1.116382 0.033286
H -1.570274 2.107420 -1.559031
H 0.260752 2.381153 -1.429130
H -3.056598 0.254669 -1.455627
H -3.305631 1.398622 -0.135582
H -6.137690 -0.741536 -0.073764


