%chk=000108634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108634

1 1
O -3.519764 -2.031414 -0.433476
O -2.375978 3.514205 1.724347
O -3.353985 3.293030 -0.298416
O -6.927170 -1.301495 0.351894
O -5.117921 -0.023037 0.714444
N -1.979064 0.623787 -0.356530
N -1.068861 1.779126 -2.215863
C -3.060493 0.637334 -1.454871
C -0.770852 1.393096 -1.039921
C -1.543030 -0.800802 -0.021786
C -2.442254 1.341989 0.891177
C -2.443347 1.443081 -2.621216
C 0.488730 1.559608 -0.271382
C 1.582281 0.594556 -0.763721
C -2.613717 -1.667356 0.642373
C 2.862230 0.749164 0.067718
C -2.792995 2.800744 0.645251
C 3.956696 -0.210617 -0.419689
C 5.236538 -0.063921 0.414779
C 6.332141 -1.022890 -0.070615
C 7.611358 -0.877659 0.764410
C -4.850145 -2.352465 -0.025579
C 8.709241 -1.835782 0.280409
C 9.984057 -1.694900 1.108055
C -5.593147 -1.093566 0.386220
H -4.001142 1.108685 -1.078447
H -3.330573 -0.404335 -1.750499
H -0.636920 -0.762469 0.632275
H -1.221112 -1.293462 -0.978774
H -3.378355 0.843045 1.302272
H -1.675464 1.263295 1.702835
H -3.005336 2.393907 -2.819009
H -2.429053 0.880346 -3.583402
H 0.852410 2.613269 -0.408870
H 0.340986 1.458534 0.823288
H 1.232874 -0.453316 -0.725695
H 1.806862 0.800151 -1.833402
H -2.168669 -2.611809 1.022262
H -3.152365 -1.156236 1.461271
H 2.655667 0.565373 1.139614
H 3.234029 1.792484 0.007032
H 4.185677 -0.016310 -1.486627
H 3.599678 -1.257306 -0.373342
H 5.020171 -0.254645 1.483656
H 5.606119 0.979249 0.363625
H 5.971282 -2.068391 -0.023195
H 6.559137 -0.830173 -1.137440
H 7.393324 -1.069773 1.832530
H 7.980262 0.165293 0.716622
H -2.635082 4.488815 1.680831
H -5.283631 -2.808801 -0.948437
H -4.866865 -3.112972 0.781951
H 8.347319 -2.881524 0.328679
H 8.935320 -1.642992 -0.786927
H 9.809104 -1.917984 2.166680
H 10.762839 -2.381670 0.755358
H 10.396026 -0.680710 1.050711
H -7.471669 -0.501883 0.632961


%chk=000108634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108634

1 1
O -4.907468 -1.201356 -0.654754
O -2.105404 2.925101 2.045213
O -1.544579 3.063930 -0.212634
O -7.757077 -0.166560 1.408665
O -5.603943 0.703056 1.300308
N -2.223851 0.271975 -0.554552
N -0.647986 0.599497 -2.348971
C -2.996285 0.868549 -1.753260
C -0.681362 0.395705 -1.088852
C -2.489981 -1.245696 -0.417339
C -2.491057 0.983707 0.758356
C -1.999583 0.748757 -2.941874
C 0.436126 0.227131 -0.104573
C 1.811589 0.030883 -0.793335
C -3.819359 -1.645411 0.225306
C 2.962615 -0.055978 0.232512
C -1.985454 2.423255 0.764213
C 4.334443 -0.279138 -0.444265
C 5.510445 -0.313971 0.557558
C 6.876592 -0.553292 -0.124320
C 8.062837 -0.559091 0.865937
C -6.234046 -1.273645 -0.060990
C 9.426258 -0.804931 0.179762
C 10.609146 -0.798714 1.171555
C -6.461901 -0.137745 0.942751
H -3.195570 1.923040 -1.520963
H -3.933222 0.309985 -1.877051
H -1.666799 -1.667457 0.185026
H -2.423824 -1.660177 -1.437237
H -3.583651 0.982913 0.950932
H -2.000657 0.428178 1.575798
H -2.015825 1.647782 -3.578461
H -2.198208 -0.122140 -3.592349
H 0.484506 1.129619 0.539303
H 0.234638 -0.625167 0.576418
H 1.783287 -0.886595 -1.411900
H 1.987187 0.871255 -1.489427
H -3.821907 -2.752835 0.306102
H -3.933176 -1.225338 1.242697
H 2.771299 -0.881929 0.949617
H 2.999850 0.878555 0.830420
H 4.512190 0.526599 -1.186250
H 4.311998 -1.229816 -1.016365
H 5.333060 -1.110085 1.310730
H 5.544844 0.643472 1.118195
H 6.850494 -1.519890 -0.669692
H 7.045963 0.231279 -0.891278
H 7.897095 -1.339761 1.637828
H 8.096615 0.409989 1.406571
H -1.826079 3.880440 2.090765
H -6.953421 -1.173408 -0.890122
H -6.424924 -2.246094 0.436401
H 9.395118 -1.776300 -0.354847
H 9.588566 -0.028748 -0.595807
H 10.486874 -1.583883 1.941433
H 11.569887 -0.979280 0.656110
H 10.684702 0.173599 1.693976
H -7.938228 0.565680 2.059410


