%chk=000185904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185904

0 1
O -2.819318 1.443313 2.416762
O -0.091860 0.524806 1.990030
O 1.748385 -2.384800 -1.211668
N -1.158814 1.192471 0.086365
N 0.935786 -1.712605 0.807566
C -1.472531 2.531249 0.645859
C -0.288108 -1.133420 0.221008
C -1.571874 3.571305 -0.487203
C -1.516261 -2.017663 0.529240
C -0.494343 0.254848 0.862851
C -2.800487 2.490618 1.444008
C -0.237806 3.805886 -1.144173
C -2.710361 -1.597119 -0.281404
C 0.716494 4.624810 -0.520727
C 0.058241 3.209216 -2.378365
C 1.922453 -2.276069 -0.008674
C -3.680135 -0.748801 0.273528
C -2.856664 -2.050768 -1.601409
C 3.141568 -2.750107 0.718724
C 1.955058 4.842349 -1.129305
C 1.299794 3.430299 -2.981702
C -4.792543 -0.370915 -0.482557
C -3.969256 -1.666218 -2.353995
C 2.249555 4.246519 -2.360132
C -4.940288 -0.828331 -1.795921
C 3.594926 -4.055063 0.481503
C 3.840906 -1.902797 1.588125
C 4.742064 -4.517552 1.132026
C 4.990280 -2.370345 2.231529
C 5.438036 -3.676721 2.007055
H -0.634075 2.810606 1.347282
H -0.150010 -1.055185 -0.897271
H -1.958373 4.528107 -0.074802
H -2.328926 3.261204 -1.236793
H -1.744804 -1.996996 1.615785
H -1.259710 -3.078499 0.313533
H -1.606531 0.937135 -0.790486
H -3.674402 2.255494 0.807250
H -2.972655 3.448243 1.969388
H 1.060945 -1.581225 1.812849
H 0.496579 5.089060 0.438080
H -0.672542 2.570603 -2.868968
H -3.563050 -0.369694 1.295959
H -2.104822 -2.706886 -2.039352
H -1.928483 1.339106 2.842197
H 2.694068 5.476769 -0.642064
H 1.527972 2.961346 -3.938082
H -5.549406 0.276671 -0.042386
H -4.081566 -2.024370 -3.376207
H 3.215755 4.415529 -2.831001
H -5.810258 -0.537328 -2.380788
H 3.055998 -4.698851 -0.216054
H 3.500118 -0.880274 1.756323
H 5.096031 -5.531767 0.952543
H 5.538101 -1.714688 2.906983
H 6.333149 -4.038701 2.512039


%chk=000185904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185904

0 1
O -2.511073 1.455190 2.808354
O 0.147692 0.663141 2.159624
O 1.489966 -2.979619 -0.809598
N -1.062872 1.321094 0.284885
N 1.148226 -1.499290 0.932643
C -1.444244 2.633918 0.847671
C -0.034871 -0.922878 0.295897
C -1.756812 3.636537 -0.294838
C -1.283751 -1.875797 0.433900
C -0.303784 0.424621 0.980400
C -2.650522 2.520778 1.819396
C -0.584719 3.883123 -1.234854
C -2.454618 -1.464102 -0.441749
C 0.553461 4.608979 -0.797422
C -0.598904 3.379721 -2.560130
C 1.862472 -2.506815 0.318607
C -3.595123 -0.818615 0.104367
C -2.410592 -1.707675 -1.841339
C 3.085738 -3.025303 1.030276
C 1.650887 4.821178 -1.659970
C 0.498509 3.588438 -3.427367
C -4.672121 -0.435830 -0.728513
C -3.483582 -1.319331 -2.675396
C 1.628079 4.309343 -2.978961
C -4.619946 -0.683400 -2.120688
C 3.695297 -4.188869 0.494915
C 3.653740 -2.413393 2.179179
C 4.843077 -4.740128 1.099763
C 4.804708 -2.964789 2.783576
C 5.400604 -4.130654 2.248565
H -0.565487 2.982723 1.425074
H 0.171953 -0.795972 -0.783713
H -2.075631 4.584444 0.180408
H -2.629516 3.261204 -0.866182
H -1.574577 -1.917697 1.498842
H -0.918771 -2.873584 0.132532
H -1.441773 1.045774 -0.624568
H -3.573879 2.290761 1.255571
H -2.780896 3.506366 2.318861
H 1.386270 -1.102787 1.847669
H 0.579959 5.013940 0.222434
H -1.477602 2.828849 -2.920805
H -3.630436 -0.608120 1.180697
H -1.538979 -2.220118 -2.268166
H -1.543412 1.329204 3.021632
H 2.521328 5.385531 -1.306974
H 0.470481 3.191717 -4.448379
H -5.552679 0.048282 -0.290637
H -3.439931 -1.523273 -3.751353
H 2.479544 4.473170 -3.648577
H -5.457742 -0.392518 -2.764520
H 3.247134 -4.634999 -0.398919
H 3.227425 -1.497951 2.606091
H 5.303297 -5.640756 0.678831
H 5.238005 -2.483432 3.667140
H 6.292996 -4.556530 2.720717


