%chk=000229924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229924

0 1
O -1.517090 3.119783 0.634392
O 1.512503 3.119179 -0.647719
O -0.417549 1.394378 1.614955
O 0.415108 1.387348 -1.619338
O -5.090464 -0.923583 1.741757
O 5.091640 -0.923753 -1.736829
O -5.766581 -3.177172 -0.008513
O 5.771630 -3.168515 0.023244
N -4.243434 -1.426685 -0.358229
N 4.245780 -1.418909 0.365516
N -5.443055 -2.432867 -2.155989
N 5.447320 -2.415250 2.167471
C -0.322920 3.951803 0.683205
C 0.317107 3.949226 -0.700059
C -1.419544 1.821173 1.091093
C 1.416670 1.818205 -1.097977
C -2.710645 1.142748 0.818702
C 2.708883 1.143015 -0.822810
C -2.902102 -0.124255 1.182136
C 2.902125 -0.125400 -1.180323
C -4.194109 -0.850276 0.942125
C 4.195319 -0.848318 -0.937359
C -5.232698 -2.401892 -0.765731
C 5.236661 -2.390742 0.777133
H -0.735016 4.938840 0.963951
H 0.372000 3.583384 1.465505
H 0.727825 4.935615 -0.985093
H -0.377278 3.576385 -1.480731
H -3.462566 1.754747 0.307626
H 3.460064 1.758553 -0.314906
H -2.145149 -0.718062 1.713450
H 2.145881 -0.722846 -1.708559
H -3.490843 -1.206630 -1.019327
H 3.492955 -1.197142 1.025771
H -6.183652 -3.038175 -2.492568
H -5.240365 -1.643649 -2.746616
H 6.188944 -3.017882 2.506581
H 5.243443 -1.623778 2.754663


%chk=000229924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229924

0 1
O -1.528780 3.035676 0.450116
O 1.523534 3.034706 -0.461766
O -0.345041 1.543163 1.823327
O 0.339753 1.533737 -1.825700
O -3.965262 -2.179700 1.840337
O 3.963809 -2.185033 -1.828892
O -6.281649 -2.247956 -0.060558
O 6.285199 -2.238698 0.066376
N -4.112218 -1.312160 -0.353801
N 4.114933 -1.304952 0.359944
N -5.308861 -2.166350 -2.181129
N 5.317536 -2.147224 2.188890
C -0.469293 4.066241 0.598260
C 0.463152 4.063667 -0.614719
C -1.326407 1.800204 1.085538
C 1.321774 1.795747 -1.090528
C -2.433561 0.881818 0.723413
C 2.430589 0.880595 -0.725279
C -2.496201 -0.379598 1.234172
C 2.493861 -0.383451 -1.229412
C -3.590582 -1.367416 0.955438
C 3.590000 -1.368431 -0.947601
C -5.318348 -1.955912 -0.804988
C 5.323208 -1.944365 0.811595
H -1.015792 5.022327 0.651547
H 0.096154 3.889155 1.530048
H 1.008932 5.019892 -0.672627
H -0.102206 3.881638 -1.545607
H -3.187507 1.285348 0.038624
H 3.185279 1.288737 -0.044057
H -1.752768 -0.705032 1.971992
H 1.749445 -0.713709 -1.964090
H -3.595266 -0.746683 -1.032449
H 3.598987 -0.736330 1.036724
H -6.156820 -2.552270 -2.592283
H -4.459940 -2.140035 -2.743678
H 6.167198 -2.529388 2.600040
H 4.469957 -2.119356 2.753382


