%chk=000291115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291115

0 1
O -1.493015 -0.625474 -0.475006
O -1.039109 -2.831145 -0.230479
O 3.617322 2.442861 0.552795
O 1.881868 2.708380 -0.718391
O 5.374775 0.412481 -0.751274
O 5.410555 -0.294303 1.303948
N 2.665074 2.033344 -0.078953
N 4.866596 -0.041197 0.251377
C -2.951239 -0.897645 -0.648474
C -3.543942 -0.997373 0.755729
C -3.415821 0.255085 -1.535050
C -5.078883 -1.008890 0.753955
C -3.208047 1.665652 -0.972175
C -5.709756 0.311560 1.219387
C -4.008343 1.998136 0.295450
C -5.463244 1.505188 0.285128
C -0.661211 -1.681829 -0.272203
C 0.748576 -1.208451 -0.120585
C 1.065324 0.153989 -0.193639
C 1.751079 -2.162048 0.099183
C 2.397745 0.563840 -0.043072
C 3.083372 -1.753956 0.234296
C 3.402979 -0.396436 0.153588
H -3.034840 -1.870358 -1.187661
H -3.166392 -0.153356 1.375111
H -3.159312 -1.917171 1.241689
H -4.494786 0.102710 -1.758921
H -2.887603 0.186069 -2.509592
H -5.429991 -1.821369 1.422950
H -5.465826 -1.273869 -0.248889
H -3.465576 2.395502 -1.766775
H -2.128850 1.814513 -0.762293
H -5.349633 0.556591 2.238156
H -6.803933 0.161437 1.323030
H -3.992518 3.095906 0.442612
H -3.478457 1.576887 1.177038
H -5.775199 1.245693 -0.745291
H -6.130073 2.335884 0.590609
H 0.270291 0.897641 -0.371830
H 1.485667 -3.226229 0.162148
H 3.867176 -2.499548 0.407574


%chk=000291115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291115

0 1
O -1.434828 -0.543273 -0.414505
O -0.955020 -2.825646 -0.228006
O 3.799556 2.334060 0.927502
O 2.174008 2.783206 -0.617670
O 5.431544 0.702497 -0.711501
O 5.751506 -0.837883 0.949624
N 2.882225 1.980667 0.098255
N 5.012050 -0.162781 0.141008
C -2.916134 -0.838768 -0.580611
C -3.533852 -0.959125 0.828294
C -3.461219 0.240943 -1.523595
C -5.090119 -1.029516 0.825477
C -3.399360 1.718055 -1.067975
C -5.823485 0.286923 1.195831
C -4.251126 2.128734 0.167484
C -5.677135 1.509313 0.249283
C -0.588821 -1.623917 -0.248820
C 0.841926 -1.190633 -0.106769
C 1.211362 0.174794 -0.130861
C 1.831645 -2.189511 0.063964
C 2.564073 0.529234 0.004377
C 3.188101 -1.830764 0.183726
C 3.555250 -0.471530 0.142812
H -2.978188 -1.825226 -1.080916
H -3.195848 -0.112315 1.451183
H -3.120058 -1.876056 1.287164
H -4.508611 -0.034130 -1.754671
H -2.909917 0.149621 -2.480229
H -5.403120 -1.794730 1.561863
H -5.452793 -1.400215 -0.155356
H -3.736035 2.324522 -1.932870
H -2.343701 2.000859 -0.889577
H -5.489285 0.595353 2.208825
H -6.904136 0.053183 1.287484
H -4.338482 3.232692 0.143446
H -3.706671 1.900620 1.103705
H -6.038479 1.247481 -0.766340
H -6.376661 2.283801 0.621431
H 0.453032 0.953024 -0.243123
H 1.519920 -3.238038 0.088381
H 3.969682 -2.586823 0.297476


