%chk=000283579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283579

0 1
O 4.325618 -3.653445 1.584610
O -3.306821 0.894767 -1.918895
O -3.401638 0.843638 1.457156
O 3.979115 3.493874 -1.973568
O 4.566553 1.893322 -0.664420
O -4.707376 -0.782833 -1.349140
O -1.368243 0.385672 2.394689
N 1.245399 -3.079879 -0.034812
N 2.871988 0.562944 0.761099
N 0.661381 1.255484 0.619486
N 3.877263 -2.412884 2.019782
N 3.695958 2.617419 -1.154811
N -1.644502 1.796350 0.485122
N 1.509109 4.195935 -2.261119
C 2.555319 -2.390429 -0.115923
C 3.028290 -1.839560 1.218753
C 2.472847 -0.512452 1.699402
C 0.062688 -2.390695 -0.350004
C 1.203761 -4.179354 0.961948
C 1.962657 1.422529 0.207413
C 0.100724 -1.286507 -1.246326
C -1.199277 -2.850327 0.114158
C 2.341800 2.427951 -0.770580
C -1.068783 -0.648955 -1.623398
C -2.362338 -2.204337 -0.276756
C -2.313143 -1.082762 -1.126964
C 1.266191 3.221049 -1.331853
C -0.319542 2.014905 0.054665
C -0.065152 2.987289 -0.931019
C -3.563711 -0.395074 -1.453832
C -2.024391 0.925889 1.543367
C -4.067988 -0.022102 2.449593
C -4.469843 1.681301 -2.285273
C -5.415066 -0.301981 1.826021
H 3.304443 -3.129878 -0.501484
H 2.516767 -1.570197 -0.875295
H 1.350654 -0.590599 1.790446
H 2.841129 -0.255956 2.724552
H 3.883498 0.664480 0.560266
H 0.860694 -3.846555 1.956032
H 0.534368 -4.979218 0.599628
H 2.210122 -4.622978 1.083558
H 1.056739 -0.933013 -1.632040
H -1.268171 -3.703002 0.783695
H -1.035310 0.205891 -2.305571
H -3.333811 -2.556108 0.083678
H -0.876718 3.562599 -1.359554
H -2.403489 2.114696 -0.144814
H 2.457003 4.414369 -2.581492
H 0.758081 4.749270 -2.639662
H 5.005725 -3.906118 2.298390
H -4.119150 0.562958 3.383123
H -3.450390 -0.925771 2.596848
H -5.108955 1.111107 -2.969089
H -5.023184 1.942768 -1.377600
H -4.031498 2.555588 -2.774173
H -6.034052 0.602082 1.761958
H -5.312654 -0.675500 0.789172
H -5.971989 -1.055156 2.394959


%chk=000283579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283579

0 1
O 4.476782 -3.711820 1.415975
O -3.608738 0.458711 -2.369360
O -3.357001 1.027351 1.447749
O 4.173237 3.723820 -1.859872
O 4.779248 1.936263 -0.598288
O -4.890175 -1.109342 -1.210906
O -1.320024 0.213044 2.302949
N 1.217779 -3.023527 0.125254
N 3.014416 0.591950 0.766999
N 0.816398 1.320989 0.689247
N 4.059890 -2.395445 1.938456
N 3.842208 2.747813 -1.040490
N -1.470723 1.902752 0.608344
N 1.696664 4.481655 -1.982697
C 2.555845 -2.437161 -0.100354
C 3.138326 -1.837291 1.181276
C 2.643363 -0.492914 1.692577
C 0.028237 -2.454170 -0.336112
C 1.184192 -4.215127 0.994646
C 2.101301 1.494667 0.282651
C -0.001051 -1.350212 -1.251916
C -1.234582 -2.987776 0.090140
C 2.486404 2.567475 -0.633947
C -1.212633 -0.790240 -1.672743
C -2.440097 -2.418690 -0.337302
C -2.457580 -1.296939 -1.208898
C 1.430874 3.447047 -1.123065
C -0.147607 2.139202 0.210431
C 0.102960 3.204559 -0.686908
C -3.753148 -0.695797 -1.568571
C -1.953145 0.959701 1.532117
C -4.096965 0.081604 2.335559
C -4.879473 1.102434 -2.763143
C -5.576506 0.217546 1.991675
H 3.240684 -3.220025 -0.469604
H 2.502365 -1.646246 -0.862176
H 1.541981 -0.476781 1.787321
H 3.082810 -0.311876 2.690680
H 3.993980 0.759133 0.483899
H 0.734372 -3.997465 1.984034
H 0.606641 -5.030460 0.520059
H 2.215410 -4.566069 1.155585
H 0.925861 -0.915521 -1.634964
H -1.269430 -3.832053 0.782446
H -1.207950 0.058321 -2.363428
H -3.396985 -2.827629 0.006228
H -0.708145 3.849226 -1.039342
H -2.207177 2.411962 0.114695
H 2.675608 4.618709 -2.268787
H 0.941832 5.081263 -2.307661
H 5.188129 -3.967481 2.057171
H -3.873437 0.349967 3.384599
H -3.715103 -0.936923 2.144258
H -5.518261 0.393800 -3.317106
H -5.427445 1.451521 -1.870653
H -4.582994 1.947203 -3.402182
H -5.927049 1.252565 2.148770
H -5.757206 -0.075019 0.943867
H -6.168467 -0.449753 2.644918


