%chk=000184144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184144

0 1
O -0.687653 2.861416 -0.856705
O -3.918882 -3.568523 0.844929
O -1.860036 2.843425 1.066992
O 6.363683 -1.013939 -0.055843
N -1.595538 -1.380841 -1.064191
N 1.520417 1.589820 0.346429
C -2.746916 -0.739104 1.063349
C -1.584986 0.108231 -1.068130
C -0.876856 0.731207 0.207448
C -3.694398 0.241670 0.316184
C -2.249442 -1.915490 0.178268
C -1.486110 0.060485 1.471919
C -3.073390 0.535101 -1.068957
C 0.609449 0.530402 0.151528
C -0.290758 -2.022500 -1.380853
C -5.143305 -0.261272 0.234736
C -3.362202 -2.878033 -0.282879
C -1.228014 2.225006 0.245828
C 1.324280 -0.654757 -0.033593
C 0.766847 -2.009039 -0.261855
C 2.727740 -0.334506 0.026043
C -6.106134 0.822184 -0.242426
C 2.827613 1.078496 0.246406
C 3.903461 -1.107049 -0.083515
C 4.072232 1.737810 0.355378
C -0.998695 4.270232 -1.022256
C 5.109953 -0.437094 0.025720
C 5.212658 0.974904 0.243046
C 6.432238 -2.441933 -0.275477
H -3.256328 -1.153860 1.960143
H -1.060463 0.473057 -1.982707
H -3.710998 1.198334 0.903617
H -1.744028 0.820717 2.236487
H -0.741797 -0.597795 1.955927
H -1.522616 -2.511937 0.796632
H -3.606059 -0.022972 -1.864371
H -3.179800 1.599829 -1.333436
H 0.121703 -1.534474 -2.292637
H -0.515186 -3.075327 -1.665509
H -5.462234 -0.631277 1.230266
H -5.207015 -1.147472 -0.437358
H -2.992971 -3.608618 -1.021853
H -4.241219 -2.343693 -0.706619
H 1.580384 -2.717208 -0.523729
H 0.328070 -2.400275 0.683770
H 1.285357 2.566535 0.351176
H -5.853731 1.175991 -1.248007
H -7.135429 0.446912 -0.274728
H -6.096517 1.693241 0.423428
H -3.258554 -4.161888 1.248097
H 3.834389 -2.174584 -0.245802
H 4.119498 2.810289 0.523619
H -2.029284 4.360279 -1.379419
H -0.276671 4.590566 -1.780773
H -0.870969 4.805620 -0.075462
H 6.207162 1.411383 0.315040
H 7.515933 -2.614911 -0.296556
H 5.975166 -2.701415 -1.234607
H 5.966055 -2.977260 0.556548


%chk=000184144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184144

0 1
O -0.618679 2.906976 -0.921646
O -4.003171 -3.601711 0.910506
O -1.959398 2.869032 0.973581
O 6.463649 -1.036275 0.023701
N -1.579111 -1.376304 -1.000080
N 1.541869 1.570606 0.391506
C -2.767395 -0.756917 1.072263
C -1.631213 0.092946 -1.071216
C -0.872369 0.757725 0.185110
C -3.750595 0.207466 0.336829
C -2.266035 -1.942040 0.197128
C -1.502388 0.067598 1.461515
C -3.121730 0.518923 -1.061346
C 0.635458 0.535249 0.092303
C -0.344301 -2.055819 -1.442469
C -5.233234 -0.235455 0.270082
C -3.315990 -2.989077 -0.239467
C -1.210272 2.255165 0.178541
C 1.368533 -0.643163 -0.138151
C 0.847560 -2.026446 -0.448324
C 2.772742 -0.307263 0.013416
C -6.160919 0.909123 -0.196896
C 2.852225 1.089240 0.329701
C 3.969383 -1.071157 -0.096622
C 4.087778 1.746384 0.521802
C -1.017746 4.323248 -1.117496
C 5.199416 -0.410963 0.100339
C 5.261353 0.984335 0.403853
C 6.482339 -2.464621 -0.279167
H -3.242600 -1.163935 1.984306
H -1.129087 0.423767 -1.997145
H -3.744494 1.142875 0.932019
H -1.773554 0.845464 2.196373
H -0.745637 -0.590254 1.925775
H -1.527035 -2.490943 0.832635
H -3.630008 -0.062179 -1.853820
H -3.225147 1.588677 -1.321264
H -0.029222 -1.590282 -2.395593
H -0.595776 -3.112959 -1.662987
H -5.551099 -0.582240 1.273476
H -5.362622 -1.100349 -0.406306
H -2.818664 -3.764219 -0.861683
H -4.113380 -2.535109 -0.842688
H 1.666248 -2.628822 -0.889813
H 0.561481 -2.558694 0.484653
H 1.284458 2.555346 0.405179
H -5.896134 1.252001 -1.214827
H -7.217526 0.584785 -0.217974
H -6.086069 1.780947 0.480659
H -3.335790 -4.090640 1.455861
H 3.925210 -2.139821 -0.326990
H 4.142384 2.813769 0.762070
H -2.096893 4.384071 -1.338909
H -0.419318 4.666050 -1.973120
H -0.805087 4.917395 -0.212720
H 6.248551 1.434201 0.544934
H 7.546062 -2.745843 -0.290497
H 6.031228 -2.675243 -1.269732
H 5.950864 -3.050526 0.497534


