%chk=000247382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247382

0 1
O -1.818953 -0.756913 -0.412277
O -2.382468 0.285850 1.549260
N 1.696110 -0.555067 0.796999
N -3.847413 0.273587 -0.259491
C 2.906877 0.059290 0.160872
C 2.979898 -0.355263 -1.326084
C 2.966646 1.600918 0.303264
C 0.403531 -0.014366 0.279897
C 1.745150 -0.506500 2.296946
C 3.207566 -1.863531 -1.489807
C 4.383910 2.143395 0.082588
C -0.566185 -1.201500 0.195847
C 2.716750 -1.566686 2.817778
C 3.277279 -2.270044 -2.960003
C 4.434368 3.664277 0.211135
C -2.670236 -0.024974 0.406230
C -4.075972 -0.116869 -1.674099
C -4.889232 1.066621 0.449067
C -3.622923 0.975661 -2.641209
C -5.981804 0.163872 1.017665
H 3.792747 -0.382682 0.693270
H 3.798066 0.205275 -1.818170
H 2.051987 -0.057726 -1.852803
H 2.265076 2.080592 -0.403325
H 2.613462 1.893852 1.311918
H 0.533052 0.425382 -0.733516
H -0.035631 0.787520 0.914776
H 0.725992 -0.716247 2.694275
H 2.030362 0.497690 2.682087
H 4.138088 -2.163843 -0.971078
H 2.390713 -2.415400 -0.979959
H 5.080697 1.684294 0.811395
H 4.751077 1.840786 -0.918870
H -0.240179 -1.971717 -0.525920
H -0.779091 -1.650651 1.180062
H 2.648119 -1.659002 3.906406
H 3.756134 -1.329879 2.564191
H 2.495950 -2.549541 2.380507
H 3.441073 -3.348371 -3.063487
H 2.348894 -2.027672 -3.489159
H 4.095087 -1.761779 -3.482370
H 3.786026 4.153672 -0.524475
H 5.451173 4.041399 0.054743
H 4.110387 3.996736 1.203968
H -3.518062 -1.063107 -1.878462
H -5.157700 -0.337702 -1.810683
H -4.402905 1.641516 1.275270
H -5.318531 1.806800 -0.261093
H -3.799207 0.677331 -3.680694
H -2.548316 1.177514 -2.535346
H -4.148467 1.921739 -2.471829
H -6.740461 0.752710 1.545714
H -5.567854 -0.556548 1.736976
H -6.489855 -0.414398 0.238404


%chk=000247382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247382

0 1
O -1.914063 -0.618720 -0.680974
O -2.445429 -0.130539 1.565187
N 1.640624 -0.455025 0.596680
N -3.959389 0.315466 -0.174882
C 2.931555 0.095384 0.078135
C 3.283300 -0.525957 -1.298832
C 2.978193 1.656782 0.050451
C 0.414779 0.040955 -0.068896
C 1.533871 -0.473414 2.081308
C 3.595476 -2.036837 -1.230632
C 4.408635 2.245073 0.041085
C -0.594583 -1.116263 -0.205076
C 2.305465 -1.642609 2.724598
C 3.821435 -2.667575 -2.621271
C 4.416652 3.789484 0.029733
C -2.763053 -0.133572 0.340569
C -4.280796 0.274358 -1.619921
C -4.957597 0.878593 0.763015
C -3.808877 1.535726 -2.374750
C -5.980741 -0.170564 1.247784
H 3.707451 -0.243133 0.796194
H 4.154215 0.010979 -1.726122
H 2.442020 -0.357592 -2.003680
H 2.424633 2.031136 -0.835950
H 2.444638 2.047003 0.942467
H 0.662028 0.423112 -1.074894
H -0.071018 0.873695 0.489136
H 0.463057 -0.561502 2.343163
H 1.879616 0.492109 2.526734
H 4.496629 -2.192921 -0.601864
H 2.759176 -2.541156 -0.709933
H 4.956538 1.878915 0.933784
H 4.966338 1.870754 -0.840474
H -0.274660 -1.838736 -0.972030
H -0.732003 -1.625829 0.763908
H 2.187861 -1.624901 3.824610
H 3.387096 -1.594672 2.500941
H 1.924109 -2.606099 2.342796
H 4.051633 -3.746396 -2.543558
H 2.920862 -2.560105 -3.255924
H 4.662475 -2.180595 -3.151445
H 3.903023 4.180716 -0.868858
H 5.447071 4.190521 0.032417
H 3.892850 4.194154 0.916440
H -3.814262 -0.621234 -2.060800
H -5.377854 0.162275 -1.711478
H -4.412235 1.292403 1.627836
H -5.472463 1.713512 0.250260
H -4.101803 1.479590 -3.439606
H -2.710095 1.621815 -2.321092
H -4.253797 2.451527 -1.944255
H -6.725030 0.299699 1.916786
H -5.468791 -0.971544 1.808107
H -6.523963 -0.627947 0.400378


