%chk=000180061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180061

0 1
O -1.858830 1.348395 -2.692858
O -1.659332 -0.067784 -0.551383
O 0.600973 0.025733 -1.358345
O -3.129483 -4.011498 1.850650
N -2.954606 3.464652 0.119012
C -2.417143 3.984359 1.421763
C -1.859196 2.811284 2.272278
C -1.950873 2.837643 -0.784280
C -3.593090 4.677779 2.138435
C -1.284957 5.017408 1.205160
C -2.675755 1.738942 -1.595760
C -2.899920 1.757241 2.635551
C -2.995684 0.507676 -0.722261
C -1.502759 -1.273850 0.034368
C -0.159766 -1.749844 0.003133
C 2.318452 -1.392038 -0.515239
C 3.289814 -0.431363 -1.213194
C 0.876750 -0.950982 -0.684919
C -2.540282 -2.000987 0.644376
C 0.106847 -2.987987 0.617875
C 4.708311 -0.908234 -1.066583
C -2.204231 -3.223249 1.231165
C -0.888541 -3.733001 1.231293
C 5.473606 -0.519451 0.043773
C 5.274241 -1.751118 -2.035502
C 6.789925 -0.968019 0.180117
C 6.591047 -2.196802 -1.894549
C 7.351565 -1.807248 -0.787410
H -1.407185 3.222115 3.195027
H -1.028892 2.325320 1.717245
H -3.441150 4.214874 -0.383769
H -1.475593 3.551966 -1.489239
H -1.119165 2.373647 -0.203816
H -3.891543 5.604871 1.640347
H -3.329693 4.928938 3.170544
H -4.474236 4.024728 2.173022
H -1.603711 5.836966 0.554619
H -0.398711 4.565635 0.749190
H -0.968295 5.464792 2.152433
H -3.602510 2.120860 -2.081632
H -3.677801 2.160349 3.292121
H -2.437212 0.906407 3.146524
H -3.400874 1.375987 1.727490
H -3.390878 0.793859 0.277940
H -3.640338 -0.219306 -1.235529
H -1.027093 0.886562 -2.364917
H 2.449206 -2.415491 -0.924347
H 2.569435 -1.461077 0.563224
H 3.167659 0.592479 -0.800723
H 3.009290 -0.328424 -2.283955
H -3.554518 -1.626968 0.660983
H 1.126375 -3.384324 0.610394
H -0.685092 -4.690378 1.703801
H 5.043054 0.134778 0.798843
H 4.688381 -2.055978 -2.900394
H 7.380125 -0.661606 1.042094
H 7.026144 -2.848427 -2.650519
H 8.376673 -2.154188 -0.680241
H -4.042534 -3.624222 1.825472


%chk=000180061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180061

0 1
O -1.749557 1.190295 -2.466422
O -1.741975 -0.107238 -0.014237
O 0.587819 -0.059358 -1.446246
O -3.223355 -4.616368 1.224697
N -3.035174 3.337059 0.356076
C -2.571923 4.306431 1.404359
C -1.571899 3.614085 2.383520
C -2.033894 2.785263 -0.585010
C -3.841985 4.767744 2.160787
C -1.868032 5.551913 0.783397
C -2.645070 1.618403 -1.402931
C -2.065650 2.308098 3.037885
C -3.037954 0.429190 -0.507760
C -1.536260 -1.468018 0.109090
C -0.208632 -1.954493 -0.143299
C 2.310161 -1.552821 -0.626688
C 3.320910 -0.468653 -1.077267
C 0.846558 -1.107020 -0.771005
C -2.558546 -2.339678 0.553393
C 0.048850 -3.327062 0.146265
C 4.755654 -0.957096 -0.940745
C -2.261709 -3.701920 0.783288
C -0.950157 -4.202271 0.595254
C 5.461028 -0.805972 0.281556
C 5.409576 -1.606772 -2.019792
C 6.780057 -1.292576 0.424921
C 6.728591 -2.095883 -1.882203
C 7.418658 -1.941787 -0.657334
H -1.319830 4.354369 3.169382
H -0.624767 3.412715 1.843842
H -3.830190 3.745074 -0.159972
H -1.636570 3.520450 -1.320445
H -1.174628 2.395593 -0.011050
H -4.529140 5.307222 1.479410
H -3.580319 5.454272 2.985978
H -4.386856 3.903421 2.577418
H -2.550459 6.085888 0.094577
H -0.967519 5.256517 0.214205
H -1.552630 6.262453 1.570581
H -3.561933 1.975751 -1.914533
H -2.968611 2.473150 3.653236
H -1.283906 1.886021 3.696745
H -2.309712 1.555932 2.268949
H -3.648549 0.769919 0.348368
H -3.555131 -0.348097 -1.100451
H -0.932702 0.762992 -2.059876
H 2.467154 -2.466468 -1.237074
H 2.507043 -1.851198 0.421049
H 3.159104 0.440207 -0.468873
H 3.094932 -0.187397 -2.120725
H -3.559963 -1.941973 0.757049
H 1.052801 -3.728343 -0.019636
H -0.748189 -5.257885 0.792125
H 4.975453 -0.294619 1.122682
H 4.883827 -1.719842 -2.976523
H 7.310771 -1.161273 1.374989
H 7.219137 -2.589615 -2.728989
H 8.442766 -2.316585 -0.549599
H -4.111073 -4.189742 1.322514


