%chk=000276406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276406

0 1
O 0.978640 0.627923 -1.212168
O 0.407168 -2.377535 -0.776371
O 2.444312 -1.978301 0.589525
O 3.507488 2.200308 -0.605758
O -1.154202 -3.574126 0.350032
O 3.831442 -0.976929 2.067988
O 1.882204 3.738101 -0.968943
O -4.579614 1.216677 2.035671
O -4.186838 3.341719 2.117680
O -2.562664 -1.325604 -1.550073
N -1.072112 0.915160 -0.134060
N -1.713608 2.921916 0.755266
N -3.050864 -0.492984 0.533870
N -3.898353 2.219664 1.776439
C 0.209262 -1.239504 0.089537
C 1.592432 -0.811864 0.627339
C -0.209100 -0.068615 -0.849755
C 2.110368 0.254175 -0.365892
C 2.662163 1.494386 0.335973
C -2.328048 0.706503 0.447211
C -0.761055 2.311405 0.058571
C -2.699265 1.953618 1.018990
C -0.355679 -3.516116 -0.555169
C 3.577551 -1.949273 1.400668
C 0.001732 -4.517458 -1.589008
C 2.982285 3.319563 -1.236292
C 4.296641 -3.236796 1.249962
C -3.178596 -1.455578 -0.509967
C 3.993672 3.840727 -2.190851
C -4.052504 -2.612034 -0.162034
H -0.522041 -1.484199 0.892726
H 1.532430 -0.442324 1.677594
H -0.695144 -0.396352 -1.811075
H 2.849234 -0.164310 -1.090548
H 3.372760 1.218756 1.147679
H 1.870764 2.164539 0.723491
H 0.147988 2.757870 -0.361068
H -3.752098 -0.487357 1.313453
H 0.111245 -5.521740 -1.149696
H -0.788496 -4.578447 -2.358806
H 0.939604 -4.266064 -2.114558
H 3.830370 -3.900212 0.502171
H 4.326114 -3.783702 2.208265
H 5.343770 -3.069074 0.944905
H 4.196362 4.908147 -2.001974
H 4.951661 3.298612 -2.133818
H 3.626139 3.761608 -3.227893
H -4.919292 -2.365702 0.466099
H -4.437844 -3.096206 -1.074662
H -3.460086 -3.380367 0.379633


%chk=000276406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276406

0 1
O 1.030953 0.732562 -1.300078
O 0.498208 -2.258791 -1.161314
O 2.358336 -1.971601 0.806535
O 3.638531 2.081342 -1.055379
O -0.893966 -3.744526 -0.012655
O 3.425309 -0.799326 2.522254
O 1.977615 3.713694 -0.840629
O -4.372393 0.944813 2.409361
O -3.882569 3.160272 2.728248
O -2.589819 -1.339302 -1.562828
N -1.031796 0.960366 -0.082611
N -1.550007 2.842809 1.105130
N -2.995663 -0.484372 0.579479
N -3.634486 2.025639 2.190564
C 0.224445 -1.217888 -0.155933
C 1.548030 -0.781232 0.506204
C -0.200482 0.046086 -0.939143
C 2.191637 0.157449 -0.546825
C 3.027992 1.293270 0.043273
C -2.236997 0.684913 0.566308
C -0.669984 2.289314 0.261316
C -2.514953 1.862945 1.310086
C -0.154660 -3.497335 -0.988627
C 3.259106 -1.864808 1.892579
C 0.152758 -4.407273 -2.149726
C 2.989828 3.272674 -1.426128
C 3.931471 -3.191643 2.139830
C -3.173294 -1.433655 -0.443249
C 3.686795 3.902239 -2.608084
C -4.085351 -2.586556 -0.073739
H -0.519681 -1.591195 0.565922
H 1.344065 -0.230691 1.445043
H -0.769449 -0.212802 -1.841266
H 2.787661 -0.435536 -1.265220
H 3.872522 0.888337 0.621794
H 2.416328 1.954061 0.682113
H 0.214964 2.775451 -0.148234
H -3.678908 -0.444202 1.362963
H -0.072322 -5.448820 -1.878155
H -0.481844 -4.117996 -3.007325
H 1.204046 -4.305492 -2.461464
H 4.308647 -3.616580 1.194991
H 3.198749 -3.908012 2.552545
H 4.754800 -3.063044 2.856560
H 3.404117 4.962292 -2.683000
H 4.779751 3.797602 -2.521339
H 3.371692 3.385345 -3.532866
H -4.778770 -2.344185 0.748849
H -4.658485 -2.893932 -0.962327
H -3.454178 -3.440075 0.236497


