%chk=000205930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205930

0 1
O 2.747954 -2.157358 -0.719842
O -4.299282 -1.074399 -0.526594
O -4.376537 0.675413 0.742197
N 3.337302 -0.818426 1.156293
N -3.773073 -0.163165 0.091129
C 1.978074 0.226532 -0.093026
C 2.709355 0.534614 1.260163
C 2.444108 1.056754 -1.291715
C 2.709427 -1.171981 -0.039763
C 0.481513 0.122424 -0.027043
C 2.017515 2.517489 -1.213346
C -0.174162 -0.910680 -0.718561
C -0.268088 1.064137 0.698892
C -1.563234 -1.010521 -0.683256
C -1.657981 0.973938 0.740924
C -2.299454 -0.065100 0.048596
H 3.432628 1.364813 1.224463
H 2.057154 0.653438 2.140012
H 2.047913 0.596324 -2.222935
H 3.549358 0.994159 -1.379596
H 3.969094 -1.273813 1.779163
H 0.925351 2.625434 -1.234834
H 2.380628 3.005760 -0.302560
H 2.411909 3.085435 -2.066119
H 0.408998 -1.647623 -1.283436
H 0.233926 1.875119 1.226281
H -2.084404 -1.814145 -1.216462
H -2.254192 1.700725 1.303875


%chk=000205930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205930

0 1
O 2.766881 -2.213584 -0.661104
O -4.374473 -1.052710 -0.665445
O -4.462554 0.686155 0.808208
N 3.404985 -0.775535 1.185074
N -3.812108 -0.146762 0.063727
C 1.990999 0.219673 -0.056984
C 2.760180 0.565020 1.284483
C 2.472084 1.035000 -1.295190
C 2.741054 -1.172914 0.028113
C 0.476794 0.119510 0.014552
C 2.011644 2.507718 -1.302454
C -0.193072 -0.864162 -0.764510
C -0.293765 1.012521 0.805477
C -1.597017 -0.959826 -0.752448
C -1.699335 0.932832 0.828559
C -2.332520 -0.056100 0.045576
H 3.467854 1.408466 1.208143
H 2.121558 0.679247 2.176508
H 2.106971 0.520945 -2.204657
H 3.578561 0.986947 -1.329824
H 4.095576 -1.247619 1.771743
H 0.910838 2.589056 -1.319638
H 2.380285 3.053650 -0.413595
H 2.402755 3.025225 -2.196420
H 0.397876 -1.567597 -1.360640
H 0.205472 1.782402 1.403519
H -2.127652 -1.715320 -1.337564
H -2.308069 1.613062 1.429691


