%chk=000179135.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179135

0 1
O -4.662038 0.548525 0.741024
O -4.442818 -0.171335 -1.360214
C -2.629595 1.143853 -0.358768
C -1.640837 0.563346 0.669694
C -2.315323 1.924407 0.931882
C -0.179500 0.860696 0.471503
C -1.206508 2.929633 0.876643
C -2.205409 1.630450 -1.717527
C -3.956394 0.442113 -0.440277
C -0.021275 2.328316 0.643087
C 0.784581 -0.038452 0.203702
C 2.208672 0.351077 0.070830
C 0.499614 -1.480022 0.022937
C 2.872206 0.164460 -1.152140
C 1.223958 -2.432926 0.758718
C 2.899565 0.894406 1.165444
C -0.486090 -1.903363 -0.882998
C 4.214798 0.529230 -1.278433
C 0.954765 -3.793352 0.594666
C 4.243484 1.252815 1.032448
C -0.747402 -3.266479 -1.044621
C 4.902043 1.073446 -0.188271
C -0.030337 -4.212733 -0.306081
H -1.891667 -0.351946 1.204040
H -3.107003 2.077500 1.665068
H -1.399611 3.977025 1.031240
H -2.804411 2.495734 -2.033653
H -1.151214 1.939983 -1.737701
H -2.329554 0.846955 -2.481494
H 0.947525 2.797050 0.565975
H -5.540431 0.083286 0.700824
H 2.338396 -0.267270 -1.997776
H 1.995293 -2.107224 1.455706
H 2.387056 1.031573 2.116363
H -1.046014 -1.168542 -1.461320
H 4.727667 0.386603 -2.228391
H 1.515005 -4.529453 1.168917
H 4.778899 1.672217 1.882705
H -1.513709 -3.590254 -1.747859
H 5.948297 1.354688 -0.289461
H -0.236982 -5.273537 -0.432429


%chk=000179135-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179135

0 1
O -4.405625 0.143053 1.004899
O -4.815780 0.337742 -1.272023
C -2.709408 1.199619 -0.368537
C -1.640960 0.630401 0.651364
C -2.285230 1.985439 0.943432
C -0.182003 0.900771 0.383957
C -1.186613 2.985430 0.792206
C -2.333900 1.659357 -1.768476
C -4.044783 0.544266 -0.302001
C -0.002160 2.361495 0.474144
C 0.805674 -0.047571 0.144132
C 2.250486 0.344509 0.115897
C 0.485907 -1.488115 -0.070920
C 3.103969 -0.118069 -0.925606
C 1.355609 -2.499238 0.434906
C 2.816020 1.165978 1.131411
C -0.673691 -1.904498 -0.786781
C 4.465158 0.250732 -0.966196
C 1.064409 -3.866812 0.253919
C 4.180183 1.527786 1.096704
C -0.959778 -3.272682 -0.976530
C 5.010661 1.077716 0.044221
C -0.096197 -4.262413 -0.452644
H -1.935789 -0.272957 1.188865
H -3.065796 2.099247 1.698356
H -1.332812 4.064151 0.888532
H -3.084314 2.371214 -2.154402
H -1.346162 2.145049 -1.779254
H -2.310924 0.801572 -2.464180
H 0.938863 2.869146 0.251635
H -5.299735 -0.289773 0.960372
H 2.689030 -0.759987 -1.710747
H 2.256322 -2.203974 0.983768
H 2.185352 1.493904 1.964994
H -1.333993 -1.150838 -1.225392
H 5.100186 -0.106130 -1.784852
H 1.741743 -4.624666 0.663466
H 4.596133 2.152371 1.895340
H -1.852162 -3.565225 -1.541135
H 6.069112 1.359641 0.016049
H -0.319298 -5.325142 -0.598893


