%chk=000195398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195398

0 1
O 1.388033 -0.905845 0.220628
O 1.318378 1.854094 2.379462
O -0.454386 -1.039411 3.188586
O 1.703401 1.425801 -2.168005
O 3.886228 -1.514813 0.891662
O 4.562877 -1.164451 -1.218891
O 1.288891 -2.119485 -2.320236
O -0.190552 -0.452610 -2.799097
O -0.729886 -3.161356 -1.815268
O 0.265164 -4.419292 -0.220696
N -1.000791 2.206874 2.110065
N -2.432701 4.010938 1.972231
N -1.144069 1.456747 -0.286204
N -2.701170 2.799642 -1.608408
N -3.864811 4.660384 -0.728874
C 1.315896 -0.410568 1.583763
C -0.095052 -0.171769 2.134262
C -0.029562 1.300092 2.698472
C 2.450284 -0.136319 -0.443337
C 1.866735 1.010190 1.453374
C 2.571954 1.166596 0.327593
C 2.045152 0.079642 -1.925466
C 3.738678 -0.979352 -0.359368
C -1.441649 2.267816 0.773865
C -1.630426 3.328010 2.781257
C 0.876668 -0.811908 -2.378745
C -2.348915 3.381625 0.714800
C -2.983883 3.634419 -0.537810
C -1.819913 1.775827 -1.434230
C 0.393448 -3.195936 -2.681750
C -1.979945 -3.402175 0.202831
C -0.670948 -3.737687 -0.541539
C -1.742569 -3.644432 1.695927
C -2.361680 -1.943792 -0.062566
C -3.045361 -4.360934 -0.347655
H 1.930909 -1.106828 2.196275
H -0.901295 -0.346444 1.360165
H -0.072203 1.343895 3.812294
H 3.076258 2.027087 -0.077800
H 2.932286 -0.087294 -2.604102
H 0.293385 -1.209650 3.806009
H -1.438814 3.530110 3.826473
H 0.879849 1.675855 -1.661182
H 4.693547 -2.100372 0.959406
H -1.618465 1.127375 -2.318325
H 1.031726 -4.085462 -2.532312
H -0.034230 -3.024450 -3.682779
H -4.290794 4.814190 -1.630968
H -4.084392 5.293313 0.025840
H -1.052599 -2.903842 2.128420
H -1.312132 -4.635839 1.886312
H -2.678555 -3.572696 2.260673
H -2.454511 -1.740715 -1.140970
H -1.599327 -1.239564 0.315000
H -3.314804 -1.688844 0.410900
H -4.015547 -4.182726 0.131044
H -2.784749 -5.410847 -0.170827
H -3.187759 -4.225416 -1.427878


%chk=000195398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195398

0 1
O 0.233005 -0.654254 0.294925
O 1.005884 2.084367 2.437282
O -2.075209 0.188387 2.789078
O 0.898716 1.441228 -1.885273
O 2.040622 -2.590683 0.569258
O 3.622259 -1.604562 -0.826328
O 0.933151 -2.188039 -2.420543
O -0.784745 -0.656575 -2.902705
O -0.680963 -3.861084 -1.809907
O 1.186385 -4.927305 -0.903143
N -1.016875 3.358996 1.982591
N -1.877387 5.491816 1.951773
N -0.962936 2.947169 -0.501244
N -1.850962 4.856996 -1.767067
N -2.600228 6.837794 -0.725358
C 0.167595 -0.013244 1.605251
C -1.095989 0.818009 1.917572
C -0.510162 2.135065 2.571342
C 1.583225 -0.348766 -0.285140
C 1.256608 1.030587 1.550794
C 2.112840 0.837309 0.526668
C 1.326413 0.083218 -1.778000
C 2.524671 -1.567342 -0.231720
C -1.212510 3.682188 0.623714
C -1.426241 4.495080 2.719654
C 0.329882 -0.904066 -2.423232
C -1.750820 4.996702 0.638780
C -2.074674 5.583170 -0.619414
C -1.317177 3.611291 -1.653269
C 0.144977 -3.326037 -2.891344
C -1.004191 -5.023914 0.295569
C -0.026674 -4.634571 -0.821000
C -0.242259 -5.841575 1.365117
C -1.582582 -3.718965 0.920364
C -2.157232 -5.874053 -0.315929
H 0.342821 -0.772346 2.401882
H -1.626406 1.051761 0.983146
H -0.722703 2.168831 3.652448
H 2.941677 1.455084 0.188809
H 2.284599 -0.000490 -2.320943
H -1.616858 -0.388503 3.453244
H -1.373472 4.513352 3.806677
H 0.177353 1.699250 -1.219139
H 2.566008 -3.423645 0.413087
H -1.135262 3.071212 -2.586282
H 0.889680 -4.064952 -3.221789
H -0.571198 -3.012964 -3.665387
H -2.811288 7.207044 -1.650732
H -2.772601 7.390824 0.112043
H 0.550851 -5.235847 1.838178
H 0.232059 -6.737249 0.927562
H -0.947867 -6.166115 2.151070
H -2.183840 -3.159427 0.185536
H -0.770604 -3.055805 1.265901
H -2.224951 -3.985255 1.780067
H -2.876233 -6.136040 0.481634
H -1.774745 -6.814045 -0.754601
H -2.692139 -5.311611 -1.099223


