%chk=000192612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192612

0 1
O 3.430208 -0.810648 0.714031
O 6.457787 1.071724 -1.200197
O 2.128951 0.720311 -0.208922
O 7.057208 -1.382246 0.418232
O 3.903274 0.257348 -2.686663
O 4.753746 -3.414457 2.201081
O 4.813897 -1.411985 3.219750
O 0.413050 -0.719713 -0.533332
O -7.675598 -1.584359 -1.402329
O -6.289236 -0.984291 -3.036258
N -2.075149 0.188174 0.143047
C 5.623042 -0.084432 -1.045531
C 5.825359 -0.674977 0.366462
C 4.204139 0.469015 -1.299616
C 4.635684 -1.584877 0.741305
C 3.065739 -0.297066 -0.591657
C 4.732789 -2.038321 2.199625
C 0.772036 0.371674 -0.133651
C -0.019758 1.467039 0.400561
C -1.440451 1.363877 0.510451
C 0.617931 2.658093 0.827300
C -3.488451 -0.046176 0.274461
C -2.175737 2.486362 0.995253
C -4.245551 -0.392695 -0.878665
C -0.109237 3.725731 1.317145
C -1.516573 3.633813 1.388211
C -5.612505 -0.684529 -0.698683
C -4.079841 0.014092 1.543706
C -3.578357 -0.453578 -2.205561
C -6.201051 -0.615816 0.579347
C -5.441500 -0.264254 1.690933
C -6.471401 -1.063561 -1.841298
H 5.897369 -0.821263 -1.837598
H 5.970152 0.137588 1.126984
H 4.166984 1.559764 -1.052253
H 4.535228 -2.465754 0.062404
H 2.594812 -1.101699 -1.196197
H 7.384879 0.859328 -0.936507
H 7.042881 -2.188478 -0.143463
H 4.322520 0.963150 -3.231501
H 4.817044 -3.800149 3.117693
H 1.710476 2.713234 0.760129
H -1.525969 -0.580672 -0.284311
H -3.262193 2.440674 1.037154
H 0.389382 4.633933 1.644997
H -2.086470 4.488674 1.759454
H -3.474291 0.272204 2.416277
H -2.868118 0.373483 -2.358199
H -3.016686 -1.392921 -2.330659
H -4.287059 -0.404247 -3.054897
H -7.266055 -0.847566 0.690476
H -5.902474 -0.214735 2.677369
H -8.267656 -1.841419 -2.160689


%chk=000192612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192612

0 1
O 3.336315 -0.651425 0.854807
O 6.565097 0.419449 -1.584079
O 2.127821 1.181945 0.111626
O 6.517848 -2.221997 -0.456368
O 3.979054 1.536003 -2.090573
O 5.461202 -3.477380 1.714365
O 3.650826 -2.542291 2.837530
O 0.337136 -0.166490 -0.546960
O -7.367678 -2.217797 -1.309623
O -5.515164 -2.500807 -2.652162
N -2.122844 0.668467 0.067514
C 5.349935 -0.277831 -1.159138
C 5.617244 -1.188328 0.048096
C 4.314768 0.819889 -0.864977
C 4.248410 -1.753203 0.547596
C 3.032964 0.158516 -0.345260
C 4.362783 -2.581196 1.826921
C 0.744384 0.912724 -0.019051
C -0.098898 1.998607 0.490642
C -1.540759 1.852663 0.515081
C 0.496560 3.212305 0.942043
C -3.462517 0.223670 0.228514
C -2.317425 2.968419 0.957646
C -4.027078 -0.587530 -0.812850
C -0.285290 4.282332 1.396633
C -1.700355 4.152830 1.385525
C -5.350205 -1.097538 -0.615384
C -4.191757 0.497328 1.414070
C -3.188410 -0.840432 -2.052682
C -6.082236 -0.783464 0.565562
C -5.502061 0.005934 1.572702
C -6.012568 -1.977195 -1.622806
H 4.972375 -0.919649 -1.986572
H 6.086554 -0.604807 0.868066
H 4.716731 1.505212 -0.090398
H 3.838331 -2.413339 -0.252363
H 2.546211 -0.472206 -1.116667
H 7.258379 -0.266199 -1.764768
H 6.621377 -2.912759 0.252992
H 4.834647 1.826404 -2.501570
H 5.519727 -4.036420 2.535366
H 1.586232 3.288552 0.913787
H -1.450051 0.020316 -0.379186
H -3.408002 2.909626 0.924672
H 0.185557 5.208853 1.738084
H -2.327468 4.993475 1.704071
H -3.716655 1.060514 2.222613
H -2.689365 0.092554 -2.371629
H -2.387851 -1.580133 -1.848346
H -3.787051 -1.244601 -2.877937
H -7.093132 -1.179873 0.677953
H -6.057019 0.220926 2.491660
H -7.737430 -2.820223 -2.009591


