%chk=000219976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219976

0 1
O -0.516883 0.493648 -1.247233
O -2.358162 0.652997 1.914651
O -2.452778 -1.763986 0.784871
O -3.081500 1.221028 -1.592896
O -0.691898 -3.473708 0.649641
O -5.747307 1.667874 -0.138725
O 1.683506 -2.493373 0.641750
N 1.544343 -1.348019 -1.356976
N 2.895969 -0.938610 -1.363836
C -1.030421 -0.007302 -0.009951
C -2.107267 0.953791 0.551401
C -1.551293 -1.442447 -0.275435
C -3.446521 0.912683 -0.226263
C -0.453089 -2.534731 -0.402707
C -4.420877 1.977492 0.300425
C 1.010843 -2.074486 -0.290291
C 3.239985 0.207057 -0.536741
C 4.503598 0.220945 0.084576
C 2.400128 1.330115 -0.464507
C 4.922287 1.367344 0.761374
C 2.832977 2.464632 0.225421
C 4.090055 2.489431 0.837185
H -0.149042 0.001509 0.676827
H -1.695484 1.992953 0.578870
H -2.178557 -1.444364 -1.200677
H -3.917070 -0.097966 -0.190022
H -0.600869 -3.126199 -1.340461
H -4.491451 1.924405 1.409625
H -4.133047 2.995340 -0.009399
H -1.262425 0.837562 -1.826787
H -2.640639 -0.305966 2.010458
H -2.159002 -2.612519 1.256083
H -3.794174 0.946526 -2.202276
H 0.068176 -3.453070 1.318359
H 0.933183 -0.730036 -1.927229
H -5.911428 2.047135 -1.024414
H 3.497360 -1.759399 -1.143241
H 5.154152 -0.650070 0.040843
H 1.420518 1.332344 -0.948762
H 5.901733 1.383646 1.238905
H 2.183556 3.337913 0.283308
H 4.419816 3.377481 1.371754


%chk=000219976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219976

0 1
O -0.668495 0.364182 -1.121950
O -2.842214 0.448125 1.978097
O -2.082971 -2.036263 1.345025
O -3.057145 1.110052 -1.687555
O -0.897802 -3.887663 0.029718
O -5.471771 2.024288 -1.144607
O 1.584513 -3.233363 0.372212
N 1.458645 -1.155370 -0.669226
N 2.845274 -0.961554 -0.554447
C -1.231689 -0.120321 0.153268
C -2.373798 0.814046 0.643909
C -1.676352 -1.591764 0.007858
C -3.580576 0.854592 -0.322374
C -0.585118 -2.577178 -0.548484
C -4.571621 1.967091 0.028553
C 0.904125 -2.307594 -0.213646
C 3.380327 0.300277 -0.216546
C 4.773886 0.378861 0.066134
C 2.595096 1.486386 -0.207152
C 5.366021 1.622271 0.357101
C 3.209577 2.724823 0.082057
C 4.591195 2.808116 0.366224
H -0.422164 -0.071626 0.903534
H -1.949376 1.833538 0.723228
H -2.543744 -1.664231 -0.680720
H -4.113074 -0.117335 -0.318595
H -0.688008 -2.621108 -1.648494
H -5.111809 1.709656 0.957291
H -4.039155 2.931912 0.156814
H -1.444843 0.718703 -1.671267
H -2.734814 -0.548169 2.073046
H -1.908189 -3.027295 1.349176
H -3.813253 1.461725 -2.229465
H -0.007498 -4.232193 0.366550
H 0.862617 -0.436472 -1.140000
H -6.150153 2.732754 -1.031355
H 3.311283 -1.814577 -0.227212
H 5.383509 -0.532989 0.052080
H 1.520738 1.453765 -0.418785
H 6.438663 1.665596 0.577552
H 2.595159 3.632597 0.088372
H 5.056006 3.773308 0.591580


