%chk=000228688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228688

0 1
O -2.252472 -0.791201 -0.975671
O -1.949495 0.005800 1.211960
C -4.122604 0.294951 0.143015
C -3.704455 -0.783680 -0.865165
C -3.365970 0.130213 1.468922
C -1.570672 -1.006367 0.266732
C -0.092204 -0.792134 -0.007315
C 0.264927 0.409521 -0.831963
C 0.375683 1.657080 0.059042
C -4.166270 -0.493603 -2.284950
C -3.863082 -1.036099 2.317326
C 0.643098 2.916678 -0.772288
C 0.792736 -1.662781 0.496822
C 0.755036 4.161601 0.119202
C 2.252249 -1.563330 0.308499
C 1.017512 5.423405 -0.700431
C 2.858520 -2.143268 -0.816909
C 3.039545 -0.909466 1.269300
C 4.244660 -2.069095 -0.975722
C 4.424855 -0.839355 1.102231
C 5.029726 -1.418818 -0.018032
H -3.886226 1.294875 -0.276884
H -5.213626 0.277375 0.305356
H -4.019618 -1.796244 -0.528098
H -3.376497 1.079966 2.056299
H -1.841569 -2.004252 0.666387
H -0.516490 0.566029 -1.609845
H 1.214773 0.241574 -1.377982
H 1.180489 1.510456 0.804478
H -0.563871 1.768470 0.642819
H -3.733141 0.444949 -2.658328
H -3.830600 -1.281318 -2.972779
H -5.255580 -0.418440 -2.351372
H -3.153865 -1.246166 3.129689
H -4.832169 -0.811066 2.775542
H -3.980311 -1.960936 1.743992
H 1.572393 2.791670 -1.360517
H -0.166037 3.058042 -1.514195
H 0.486070 -2.520683 1.100058
H 1.566752 4.021039 0.859529
H -0.173909 4.284803 0.709527
H 1.096274 6.305364 -0.055646
H 0.212157 5.611549 -1.419192
H 1.951510 5.346856 -1.268603
H 2.246759 -2.646378 -1.562864
H 2.567054 -0.455448 2.138194
H 4.714206 -2.518804 -1.848815
H 5.034734 -0.330557 1.846718
H 6.108316 -1.362779 -0.144675


%chk=000228688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228688

0 1
O -2.284752 -0.786612 -1.174118
O -2.145267 0.256082 1.004935
C -4.362584 -0.023774 -0.083790
C -3.732443 -1.091243 -1.004570
C -3.607003 0.090101 1.264411
C -1.594693 -0.784030 0.125141
C -0.127882 -0.487536 -0.116978
C 0.172765 0.851481 -0.763858
C 0.424776 2.002130 0.255050
C -4.334408 -1.120273 -2.408791
C -3.882079 -1.064684 2.249223
C 0.759239 3.339242 -0.442041
C 0.767480 -1.468077 0.224317
C 1.012258 4.494187 0.554254
C 2.236294 -1.542149 0.081194
C 1.345308 5.831089 -0.143218
C 2.835464 -2.835642 0.165588
C 3.105643 -0.427572 -0.113867
C 4.226558 -3.017318 0.033472
C 4.498978 -0.608400 -0.242795
C 5.069402 -1.900651 -0.176276
H -4.313762 0.950316 -0.605031
H -5.428165 -0.262101 0.102181
H -3.818603 -2.097874 -0.534534
H -3.873301 1.042746 1.755796
H -1.738965 -1.781598 0.600872
H -0.692729 1.129261 -1.394041
H 1.045353 0.759184 -1.438800
H 1.249906 1.725118 0.942333
H -0.477769 2.112434 0.882972
H -4.217488 -0.135817 -2.895496
H -3.822675 -1.874589 -3.030557
H -5.410881 -1.367463 -2.365608
H -3.221622 -0.970169 3.128264
H -4.930703 -1.019546 2.597693
H -3.721187 -2.060779 1.800467
H 1.655148 3.211758 -1.087080
H -0.073379 3.617506 -1.121591
H 0.331537 -2.390081 0.642300
H 1.842684 4.212806 1.233718
H 0.116967 4.621987 1.196111
H 1.522971 6.639095 0.590519
H 0.517000 6.149987 -0.803960
H 2.253577 5.736312 -0.768291
H 2.189555 -3.707911 0.328059
H 2.701903 0.586373 -0.134687
H 4.653813 -4.024501 0.096935
H 5.144754 0.265578 -0.386463
H 6.152309 -2.034386 -0.275966


