%chk=000179106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179106

0 1
O -6.840494 -0.100717 0.589287
O 4.079615 2.870483 -0.449302
O -5.603847 -1.575789 -0.602769
N 2.345725 -0.657483 0.684739
C -0.746101 0.173869 0.717879
C -2.095385 0.123991 1.445508
C 0.401598 0.474106 1.693558
C -3.230006 -0.221116 0.473865
C 1.716569 0.569566 0.966424
C -4.586386 -0.235717 1.186512
C 3.582496 -0.699519 0.000012
C 2.284856 1.743958 0.594322
C 4.200287 0.503561 -0.398340
C 3.564811 1.818236 -0.113640
C -5.665554 -0.741143 0.268213
C 4.187758 -1.949964 -0.274571
C 5.434019 0.443541 -1.074795
C 5.404098 -1.973870 -0.943453
C 6.032328 -0.780429 -1.345906
C -8.043573 -0.433238 -0.174272
C -8.000755 0.248399 -1.525652
H -0.770829 0.949921 -0.075506
H -0.561477 -0.783202 0.192173
H -2.297552 1.098567 1.932645
H -2.059278 -0.621249 2.263961
H 0.440061 -0.289617 2.497301
H 0.202581 1.431476 2.225264
H -3.253894 0.506851 -0.362196
H -3.047703 -1.210019 0.001228
H -4.555287 -0.890734 2.084587
H -4.846749 0.775353 1.568874
H 1.898909 -1.529672 0.953368
H 1.812656 2.702182 0.802718
H 3.710545 -2.875702 0.031980
H 5.903951 1.385673 -1.378743
H 5.882405 -2.930049 -1.161936
H 6.985277 -0.822210 -1.868741
H -8.829219 -0.033332 0.492481
H -8.114863 -1.532409 -0.254541
H -8.951951 0.140782 -2.060075
H -7.789323 1.321146 -1.430668
H -7.213921 -0.182880 -2.163194


%chk=000179106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179106

0 1
O -6.937987 -0.069244 0.563500
O 4.536116 2.892882 -0.021608
O -5.589064 -1.654156 -0.494052
N 2.325236 -0.570483 0.573238
C -0.698640 0.212412 0.711336
C -2.079225 0.261981 1.402428
C 0.455472 0.610023 1.673963
C -3.224913 -0.183755 0.468705
C 1.818511 0.650463 1.011725
C -4.607956 -0.083880 1.148127
C 3.566398 -0.689397 -0.070661
C 2.549535 1.811236 0.820231
C 4.347386 0.486116 -0.287032
C 3.855408 1.823605 0.161757
C -5.716271 -0.698762 0.307369
C 4.040431 -1.959605 -0.499424
C 5.602706 0.362213 -0.937583
C 5.286541 -2.053678 -1.141156
C 6.074587 -0.890084 -1.363319
C -8.130932 -0.595987 -0.174102
C -8.256160 0.071626 -1.546322
H -0.691571 0.894424 -0.161243
H -0.531681 -0.808764 0.309732
H -2.268285 1.294208 1.763177
H -2.065385 -0.386508 2.304004
H 0.472278 -0.096934 2.530383
H 0.246022 1.609349 2.093957
H -3.220578 0.437429 -0.448728
H -3.063971 -1.227296 0.138337
H -4.587270 -0.631577 2.113354
H -4.875246 0.960204 1.387354
H 1.770887 -1.415757 0.719481
H 2.148125 2.766219 1.169479
H 3.434811 -2.858753 -0.329892
H 6.177433 1.282237 -1.088947
H 5.651242 -3.032345 -1.472109
H 7.044221 -0.975696 -1.864537
H -8.975012 -0.345358 0.488075
H -8.029582 -1.691550 -0.268619
H -9.186305 -0.264695 -2.040976
H -8.295638 1.170205 -1.448121
H -7.405277 -0.200967 -2.192681


