%chk=000207671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207671

1 1
O -1.732140 -1.441315 -1.159602
O -1.496248 -1.870600 1.038040
O 1.715369 3.410969 -1.347229
N -3.945764 0.574158 -0.155690
C -3.949939 -0.448251 -1.299266
C -5.164147 1.506756 -0.317918
C -2.639462 1.386723 -0.211069
C -4.083536 -0.124848 1.178105
C -3.145016 -1.732390 -1.080202
C -5.198012 2.241531 -1.643944
C -2.484477 2.375841 0.925966
C 0.479262 -1.314728 -0.384503
C -0.955043 -1.613457 -0.008779
C 0.783875 0.111131 0.049984
C 1.464221 -2.300989 0.212143
C 1.128147 1.055747 -0.929420
C 0.688135 0.476280 1.394213
C 2.612380 -2.614890 -0.532205
C 1.269626 -2.877773 1.473604
C 1.388690 2.369496 -0.520267
C 0.953222 1.800742 1.780112
C 3.556412 -3.504757 -0.013777
C 2.217279 -3.769944 1.984371
C 1.287606 2.760280 0.835282
C 3.360435 -4.084815 1.244023
C 2.063202 3.115712 -2.724273
H -5.007210 -0.740563 -1.518018
H -3.568471 0.055506 -2.223946
H -6.094132 0.903971 -0.186435
H -5.147537 2.243964 0.522903
H -1.777397 0.675000 -0.217875
H -2.603340 1.921271 -1.191334
H -4.204469 0.595305 2.008108
H -3.178126 -0.731136 1.425757
H -4.949965 -0.807847 1.200034
H -3.381568 -2.264928 -0.137049
H -3.308386 -2.427154 -1.935724
H -4.293645 2.836305 -1.838787
H -5.366765 1.588765 -2.510304
H -6.035079 2.965375 -1.652531
H -1.526559 2.923739 0.810743
H -3.269374 3.141686 0.958504
H -2.422228 1.901753 1.915405
H 0.557008 -1.385988 -1.511394
H 1.223686 0.764573 -1.970083
H 0.447713 -0.269159 2.152505
H 2.779758 -2.165066 -1.509421
H 0.381992 -2.643281 2.064150
H 0.904467 2.072177 2.837126
H 4.449194 -3.746591 -0.591776
H 2.062892 -4.220043 2.965698
H 1.512320 3.790226 1.111629
H 4.098500 -4.779698 1.645924
H 2.907754 2.420812 -2.764865
H 1.191922 2.741258 -3.265493
H 2.361565 4.108856 -3.092553


%chk=000207671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207671

1 1
O -1.617513 -1.449368 -1.305400
O -1.435559 -1.787236 0.988654
O 1.666597 3.463427 -1.510295
N -4.019025 0.557749 -0.126078
C -3.902517 -0.389299 -1.348566
C -5.212949 1.522413 -0.378495
C -2.689816 1.349463 0.058826
C -4.334594 -0.242339 1.138170
C -3.079569 -1.676911 -1.208358
C -5.091274 2.411966 -1.619837
C -2.724565 2.451154 1.121428
C 0.608809 -1.345373 -0.386640
C -0.868823 -1.587431 -0.111006
C 0.899880 0.117533 0.036818
C 1.551745 -2.374405 0.257063
C 1.137384 1.087347 -0.970558
C 0.914378 0.490678 1.401112
C 2.746073 -2.685979 -0.441989
C 1.310653 -2.983921 1.513790
C 1.403025 2.432150 -0.604891
C 1.170215 1.838422 1.752768
C 3.687424 -3.584478 0.104383
C 2.251879 -3.888347 2.056389
C 1.409226 2.811017 0.763034
C 3.442534 -4.189914 1.358377
C 1.837419 3.117072 -2.926889
H -4.937873 -0.685325 -1.599329
H -3.502120 0.212795 -2.179948
H -6.107909 0.877545 -0.439094
H -5.301502 2.135264 0.532768
H -1.928118 0.604216 0.323843
H -2.436302 1.762129 -0.931151
H -4.582275 0.459065 1.947588
H -3.458285 -0.846706 1.418810
H -5.203454 -0.890682 0.941329
H -3.305229 -2.249706 -0.293752
H -3.320340 -2.297791 -2.088021
H -4.212418 3.077126 -1.585428
H -5.074632 1.842739 -2.563567
H -5.984066 3.061003 -1.654457
H -1.699703 2.857645 1.189509
H -3.393301 3.290352 0.866815
H -2.979535 2.074658 2.126551
H 0.730030 -1.403477 -1.481759
H 1.138068 0.782492 -2.022485
H 0.759287 -0.262283 2.179764
H 2.945419 -2.221044 -1.415648
H 0.387916 -2.771194 2.062280
H 1.205942 2.127434 2.808699
H 4.605336 -3.813937 -0.447157
H 2.052936 -4.358056 3.025791
H 1.634009 3.850938 1.018134
H 4.169433 -4.890115 1.783286
H 2.655048 2.384002 -3.062217
H 0.900145 2.718777 -3.362928
H 2.101057 4.062443 -3.421438


