%chk=000203274.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203274

0 1
O -0.844870 -1.601805 2.681536
O 2.586682 1.044060 -2.270407
O 5.393880 -0.224781 0.483602
O 5.141577 0.306414 -1.696540
N -3.636203 -1.019952 0.557607
N -0.918977 -0.416074 0.696245
C -4.965069 -0.320350 0.478682
C -4.700838 1.165556 0.150318
C -5.823512 -0.974577 -0.625307
C -6.024050 1.921960 -0.019245
C -7.146429 -0.215056 -0.792789
C -6.905267 1.270552 -1.093988
C -3.023584 -0.962042 1.911098
C -1.496457 -1.054288 1.816395
C 0.465674 -0.325759 0.397446
C 0.821088 0.307608 -0.809545
C 1.463529 -0.826610 1.261450
C 2.182403 0.425962 -1.127528
C 3.199358 -0.072670 -0.283150
C 2.800667 -0.694753 0.918399
C 4.619276 0.038709 -0.640226
C 6.844313 -0.214326 0.321139
C 7.301289 -1.512101 -0.314487
H -5.522313 -0.385241 1.449092
H -4.098211 1.239636 -0.775743
H -4.091738 1.632928 0.944832
H -6.027157 -2.033907 -0.384590
H -5.268994 -0.975191 -1.584790
H -6.568375 1.954482 0.944130
H -5.820122 2.975870 -0.287860
H -7.737999 -0.673301 -1.608135
H -7.759821 -0.317996 0.123178
H -6.425446 1.377905 -2.086083
H -7.872297 1.802964 -1.163137
H -3.718626 -2.000203 0.264065
H -3.370327 -1.767527 2.599813
H -3.270350 0.000436 2.420041
H -1.571120 -0.039610 -0.011693
H 0.067825 0.696983 -1.483677
H 1.181950 -1.319814 2.198491
H 3.578963 -1.080638 1.588910
H 1.825975 1.363236 -2.823061
H 7.171527 -0.103454 1.370603
H 7.126890 0.671499 -0.275915
H 6.961918 -1.578213 -1.359671
H 6.894186 -2.383779 0.212615
H 8.393382 -1.596945 -0.315720


%chk=000203274-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203274

0 1
O -1.223945 -1.243141 3.279749
O 1.896329 -0.358200 -2.667750
O 4.917648 0.232704 0.332890
O 4.472803 0.337993 -1.955814
N -3.905324 -1.606669 0.741883
N -1.279186 -1.213178 0.908650
C -4.794109 -0.432433 0.485993
C -4.000502 0.896063 0.483869
C -5.523882 -0.628251 -0.862608
C -4.929796 2.096428 0.183821
C -6.452739 0.567798 -1.179936
C -5.675176 1.905802 -1.158521
C -3.332250 -1.718225 2.104949
C -1.827171 -1.355343 2.172320
C 0.041772 -0.891213 0.535353
C 0.328427 -0.783317 -0.848980
C 1.080209 -0.671686 1.483532
C 1.627158 -0.456160 -1.299904
C 2.681967 -0.226391 -0.362903
C 2.363708 -0.349021 1.019294
C 4.060287 0.131352 -0.789554
C 6.337365 0.570111 0.034408
C 7.138499 -0.689890 -0.310730
H -5.571263 -0.358670 1.287929
H -3.210372 0.835658 -0.292419
H -3.488677 1.044406 1.454144
H -6.111240 -1.569897 -0.841123
H -4.763493 -0.735925 -1.663122
H -5.670866 2.205018 1.002727
H -4.337153 3.030515 0.166159
H -6.933114 0.417443 -2.165513
H -7.268729 0.608345 -0.429324
H -4.938130 1.913466 -1.987928
H -6.367624 2.750724 -1.336185
H -4.364622 -2.477112 0.444402
H -3.421307 -2.754800 2.482024
H -3.854818 -1.071846 2.838187
H -2.020896 -1.336793 0.187741
H -0.470232 -0.959088 -1.583292
H 0.861289 -0.754822 2.549109
H 3.170050 -0.177415 1.736097
H 1.078058 -0.551821 -3.192953
H 6.694030 1.043734 0.963764
H 6.362422 1.295926 -0.797722
H 6.770064 -1.137961 -1.248439
H 7.063217 -1.437446 0.498017
H 8.205514 -0.430975 -0.445894


