%chk=000246227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246227

0 1
O 2.334553 1.241334 -0.330174
O -3.043190 1.460068 0.765442
O 2.404152 3.031697 1.696943
O 1.677255 -0.126574 1.366264
O -1.488423 0.313428 -0.443959
N 1.228350 2.046508 -0.036602
N -2.094379 2.474224 0.935522
N -0.835764 1.073585 2.505417
C 0.010786 3.273414 1.743228
C 3.674668 -0.660606 0.075845
C -3.823999 -0.355804 -0.519008
C 3.851237 -1.957228 0.589279
C 4.622748 -0.106911 -0.799714
C -1.050906 2.202219 1.703872
C 1.337040 2.774347 1.194466
C -3.603099 -1.578126 -1.176472
C -5.130979 0.083003 -0.254882
C 2.482233 0.099000 0.489308
C 4.974538 -2.697861 0.218493
C 5.743966 -0.855652 -1.163878
C 5.918857 -2.147946 -0.656698
C -4.692733 -2.361983 -1.558919
C -6.215284 -0.708020 -0.641397
C -5.996497 -1.927809 -1.290932
C -2.652060 0.454695 -0.132532
H 0.161194 3.641339 2.787004
H -0.314378 4.182217 1.173967
H 3.109813 -2.373232 1.276056
H 4.479683 0.906282 -1.188156
H -2.580463 -1.902092 -1.386743
H -5.290798 1.041526 0.248630
H 5.117055 -3.703486 0.612807
H 6.483240 -0.430352 -1.842353
H 6.796192 -2.729444 -0.943120
H -4.527780 -3.310506 -2.068848
H -7.231747 -0.371984 -0.438375
H -6.845578 -2.542578 -1.592143
H 0.359947 1.543012 -0.288722
H 0.127952 0.799975 2.698820
H -1.431702 0.270224 2.337965


%chk=000246227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246227

0 1
O 2.100093 1.089395 -0.330232
O -3.072492 1.558503 0.882904
O 2.466729 3.048187 1.613843
O 1.821125 -0.094606 1.695828
O -1.507782 0.786674 -0.686893
N 1.029979 1.925538 0.143029
N -2.131929 2.751345 1.056603
N -0.936293 1.198096 2.496609
C 0.035102 3.386956 1.846696
C 3.592289 -0.740082 0.136928
C -3.728465 -0.220086 -0.589763
C 3.999555 -1.853622 0.919493
C 4.277128 -0.426192 -1.067529
C -1.100089 2.384237 1.827192
C 1.307767 2.788532 1.194849
C -3.405212 -1.217251 -1.548073
C -5.042019 -0.146205 -0.053884
C 2.446651 0.062634 0.626063
C 5.081803 -2.650573 0.497550
C 5.359906 -1.228482 -1.482568
C 5.762787 -2.339953 -0.704239
C -4.388977 -2.136514 -1.964510
C -6.020978 -1.069752 -0.475032
C -5.697197 -2.065583 -1.427655
C -2.661029 0.730260 -0.179043
H 0.319661 3.668403 2.873523
H -0.279480 4.295042 1.305450
H 3.462342 -2.072681 1.848042
H 3.962895 0.438973 -1.657121
H -2.388118 -1.250060 -1.951874
H -5.281700 0.634321 0.673597
H 5.396850 -3.508271 1.101068
H 5.891680 -0.987032 -2.408819
H 6.605697 -2.959174 -1.030790
H -4.140398 -2.904611 -2.704417
H -7.035257 -1.012804 -0.065966
H -6.461358 -2.780435 -1.752627
H 0.089938 1.607374 -0.178928
H 0.004874 0.861099 2.718697
H -1.690382 0.512302 2.467700


