%chk=000182104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182104

0 1
O -1.300238 1.211140 2.128335
O -1.215460 3.403252 -0.658498
O 0.308743 3.168021 1.014332
O 1.202325 0.938620 -1.632387
N 0.216645 -0.146919 0.112251
C -1.131355 0.373072 -0.204467
C -1.507720 1.538033 0.762526
C -2.137352 -0.757809 -0.139075
C -2.619340 -1.231645 1.088922
C -2.570657 -1.350954 -1.334127
C -0.671554 2.779106 0.427082
C 1.323276 0.188179 -0.680024
C 2.610007 -0.425684 -0.224945
C -3.532551 -2.288610 1.120324
C -3.484167 -2.407956 -1.297531
C -3.965925 -2.878253 -0.071534
C 2.802255 -1.811020 -0.297234
C 3.629361 0.413561 0.242816
C 4.022805 -2.358558 0.107491
C 4.845666 -0.142216 0.650098
C 5.041892 -1.525586 0.582712
C -0.471745 4.525209 -1.215484
H -1.109153 0.810327 -1.252138
H -2.603784 1.755268 0.706514
H 0.285931 -0.798266 0.889234
H -2.289298 -0.762663 2.021288
H -2.196275 -0.992317 -2.292884
H -3.908269 -2.651358 2.076016
H -3.820826 -2.865437 -2.226683
H -0.338757 1.291677 2.364974
H -4.678220 -3.701179 -0.045419
H 2.010526 -2.457216 -0.675839
H 3.473197 1.493584 0.282842
H 4.180857 -3.434552 0.050028
H 5.641786 0.505101 1.016112
H 5.992113 -1.955665 0.898262
H 0.366648 4.120098 -1.794146
H -1.215217 5.011572 -1.855000
H -0.118565 5.184442 -0.416043


%chk=000182104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182104

0 1
O -1.349976 1.052927 2.280605
O -1.119792 3.347133 -0.542548
O 0.127815 3.143347 1.425027
O 1.186920 1.363933 -1.289675
N 0.145249 -0.142544 0.141546
C -1.216091 0.364161 -0.121711
C -1.595342 1.484550 0.909747
C -2.216455 -0.793564 -0.154478
C -2.897119 -1.240245 1.008338
C -2.442288 -1.463658 -1.384444
C -0.769021 2.745412 0.638053
C 1.265924 0.372411 -0.489935
C 2.577783 -0.297567 -0.179075
C -3.789588 -2.334012 0.933710
C -3.332754 -2.557069 -1.457375
C -4.009896 -2.996362 -0.295618
C 2.672498 -1.636411 0.283995
C 3.764210 0.449456 -0.391956
C 3.935852 -2.210296 0.546189
C 5.024753 -0.122856 -0.124718
C 5.114225 -1.453492 0.349065
C -0.187600 4.389003 -1.051501
H -1.179217 0.849073 -1.114431
H -2.669551 1.717716 0.792440
H 0.245176 -0.827977 0.891697
H -2.723281 -0.731801 1.962541
H -1.918513 -1.124181 -2.286659
H -4.312571 -2.669107 1.836615
H -3.501455 -3.061278 -2.415476
H -0.584117 1.599153 2.618305
H -4.703556 -3.842988 -0.349797
H 1.773013 -2.252301 0.404116
H 3.671209 1.472525 -0.770122
H 4.001326 -3.247139 0.893594
H 5.935756 0.463888 -0.285288
H 6.093569 -1.899749 0.554517
H 0.735115 3.881233 -1.376021
H -0.714246 4.848585 -1.898820
H 0.029641 5.126491 -0.261753


