%chk=000185141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185141

0 1
O 0.227764 -0.756112 2.656779
O 0.210727 -1.558000 -2.859823
O -3.571071 1.393569 -1.627089
O -5.349634 1.350990 0.692135
O 5.409915 0.173592 -0.958403
O 3.997183 2.247649 0.412219
N -0.154330 -2.146604 -0.691765
C -0.603421 -1.789058 0.668749
C -1.856038 -0.942741 0.638889
C 0.818032 -3.266344 -0.800686
C -2.119614 -0.117962 -0.466356
C 2.042993 -3.102521 0.118278
C -1.158514 -0.044836 -1.604812
C 0.474093 -1.038271 1.506316
C -0.303215 -1.277379 -1.789790
C 2.523930 -1.679929 0.182675
C 1.769184 -0.706517 0.855791
C -2.739009 -0.972608 1.729308
C -3.299469 0.648726 -0.482192
C 3.743274 -1.321865 -0.407612
C 2.241096 0.614081 0.968203
C -4.203397 0.580927 0.598690
C -3.911546 -0.220249 1.713071
C 4.213691 -0.005124 -0.320273
C 3.451197 0.972597 0.386055
C -3.483488 2.830343 -1.410287
C -6.285023 1.199530 -0.412315
C 6.007460 1.497130 -0.952261
C 3.411213 3.193060 1.340632
H -0.819895 -2.752190 1.217346
H 1.151662 -3.331121 -1.869331
H 0.290472 -4.217114 -0.566885
H 2.848237 -3.777600 -0.241865
H 1.811718 -3.462319 1.143066
H -1.705618 0.155187 -2.562014
H -0.487149 0.837685 -1.485034
H -2.500659 -1.582612 2.603376
H 4.342212 -2.053473 -0.950831
H 1.646471 1.339854 1.523880
H -4.608457 -0.239733 2.550446
H -4.165944 3.137341 -0.609940
H -3.794427 3.229126 -2.381925
H -2.451018 3.103389 -1.179589
H -6.752297 0.213144 -0.344156
H -5.784486 1.335346 -1.378199
H -7.006639 1.998767 -0.212622
H 5.330914 2.217029 -1.426175
H 6.911872 1.335291 -1.549848
H 6.243687 1.795107 0.074318
H 3.439415 2.800259 2.361453
H 2.393963 3.446726 1.029396
H 4.081483 4.055036 1.231307


%chk=000185141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185141

0 1
O 0.097417 1.128692 1.265614
O -0.360479 -1.159126 -3.257635
O -4.365964 1.266231 -1.580052
O -5.953245 0.742049 0.799600
O 6.158947 -0.586504 -0.037694
O 5.057801 1.968198 0.857351
N -0.214581 -1.544472 -0.964632
C -0.514454 -1.092943 0.416337
C -1.951709 -0.624224 0.541612
C 0.719273 -2.670425 -1.159949
C -2.500357 0.088307 -0.550705
C 1.801130 -2.739876 -0.054349
C -1.629084 0.328202 -1.767536
C 0.515971 0.024613 0.804980
C -0.688581 -0.844204 -2.073190
C 2.574659 -1.447115 0.158578
C 1.974335 -0.210107 0.561692
C -2.715006 -0.852773 1.704386
C -3.830454 0.561789 -0.474184
C 3.972774 -1.472796 -0.027543
C 2.811312 0.921615 0.779917
C -4.618540 0.287882 0.681372
C -4.049727 -0.400241 1.773537
C 4.804340 -0.346564 0.169752
C 4.202393 0.880344 0.606720
C -4.688737 2.686366 -1.301041
C -6.895266 0.172216 -0.192967
C 7.107423 0.504594 -0.346308
C 4.435616 3.215739 1.314787
H -0.358564 -1.949318 1.097769
H 1.175323 -2.533896 -2.155798
H 0.160379 -3.628553 -1.177720
H 2.503683 -3.543812 -0.338428
H 1.340627 -3.070247 0.898185
H -2.232678 0.520507 -2.666759
H -0.999222 1.228579 -1.604115
H -2.275410 -1.385926 2.554846
H 4.470403 -2.394544 -0.346081
H 2.308834 1.835806 1.110242
H -4.672420 -0.577353 2.655646
H -5.431477 2.765676 -0.487069
H -5.099822 3.082783 -2.241929
H -3.770867 3.239260 -1.025954
H -6.992354 -0.919291 -0.038860
H -6.556058 0.376838 -1.224083
H -7.859465 0.665421 0.003412
H 6.729858 1.130375 -1.173595
H 8.025581 -0.019804 -0.652323
H 7.288487 1.133520 0.538112
H 3.906716 3.067968 2.275435
H 3.729904 3.611591 0.559788
H 5.270834 3.918152 1.451132


